SCHEMBL136826

SCHEMBL136826

N#CCC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.56
MAPK1 P28482 2/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 2/20 0.52
HIF1A Q16665 2/20 0.52
TRPA1 O75762 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CES2 O00748 2/20 0.50
LMNA P02545 1/20 0.50
NR4A2 P43354 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22313390 1.00 CES1 (0.56) CES1MAPK1MAPTTDP1MEN1
Fluoride SCHEMBL28163020 0.98 CES1 (0.54) CES1MAPK1MAPTTDP1MEN1
SCHEMBL6752860 0.98 CES1 (0.54) CES1MAPK1MAPTTDP1MEN1
SCHEMBL11332901 0.98 CES1 (0.54) CES1MAPK1MAPTTDP1MEN1
Formic Acid SCHEMBL28863403 0.92 MAPK1 (0.48) CES1MAPK1MAPTTDP1MEN1
SCHEMBL395103 0.88 GSK3B (0.48) CES1MAPK1MAPTTDP1MEN1
SCHEMBL3588115 0.88 SMN1; SMN2 (0.58) MAPTHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11647086 0.87 SMN1; SMN2 (0.44) CES1MAPK1MAPTTDP1MEN1
Acetic Acid SCHEMBL28241860 0.86 KMT2A (0.42) CES1MAPK1MAPTTDP1MEN1
SCHEMBL14918493 0.84 TSHR (0.52) CES1ALOX15SMN1; SMN2ALDH1A1GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2861 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-118844443-A Pesticide composition and application thereof 青岛海利尔生物科技有限公司 2024-10-29 CN claimed
CN-118638082-A Furan compound with antibacterial property and application thereof 四川农业大学 2024-09-13 CN claimed
CN-115974721-B Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone 平顶山学院 2024-07-02 CN claimed
CN-113930463-B Method for preparing chiral mandelic acid by biocatalysis of 2- (phenylcarbonyl) acetonitrile 上海晖胧生物医药有限公司 2023-12-08 CN claimed
CN-117164478-A Method for preparing anthracycline derivative 苏州大学 2023-12-05 CN claimed
CN-113941365-B Temperature-sensitive catalyst for aromatic ketone asymmetric hydrogen transfer reaction and preparation method thereof 南开沧州渤海新区绿色化工研究有限公司 2023-09-01 CN claimed
CN-116535356-A 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof 中国药科大学 2023-08-04 CN claimed
CN-115974721-A Method for synthesizing 2-carbonyl substituted nitrile compound through 2,2,2-trifluoroethyl ketone 平顶山学院 2023-04-18 CN claimed
CN-113875758-B Compound composition containing trifloxystrobin and acaricide as well as preparation method and application thereof 山东省联合农药工业有限公司 2022-10-18 CN claimed
US-4565777-A Silver halide color photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1986-01-21 US claimed
EP-0157146-A2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-10-09 EP claimed
US-4533625-A COLOR COUPLER COMPRISING HYDROXYNAPHTHYL-SULFONYL OR -SULFINYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1985-08-06 US claimed
US-4526861-A Heterocyclic ring contains imide or sulfonamide group FUJI PHOTO FILM CO., LTD. (JP) 1985-07-02 US claimed
US-4511649-A Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US claimed
EP-0126433-A2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-11-28 EP claimed
US-4175195-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-11-20 US claimed
US-4171444-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN ALIPHATIC ALDEHYDE, DEHYDRATING-DEHYDROGENATION CATALYSTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-16 US claimed
US-4083993-A ARTHRITIS AMERICAN CYANAMID CO. (US) 1978-04-11 US claimed
US-3993486-A Diffusion transfer color photographic flim unit with composite of image-receiving element with light intercepting element FUJI PHOTO FILM CO., LTD. (JA) 1976-11-23 US claimed