SCHEMBL38015

SCHEMBL38015

C[C](c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.52
CES2 O00748 4/20 0.52
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
DAO P14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
ESR1 P03372 1/20 0.44
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F12 P00748 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL21811153 0.97 CES2 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL8013846 0.86 ESR1 (0.64) CES2ALDH1A1ESR1MAPTCYP3A4
SCHEMBL9729472 0.84 NPC1 (0.47) CES1CES2ALDH1A1MAPTL3MBTL1
SCHEMBL6493746 0.84 CES2 (0.60) CES1CES2TSHRMAPTL3MBTL1
SCHEMBL9701745 0.80 RAB9A (0.67) TSHRALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL5788885 0.80 CES2 (0.67) CES1CES2ALDH1A1MAPTCYP3A4
SCHEMBL7046010 0.80 CES2 (0.42) CES1CES2TSHRALDH1A1DAO
SCHEMBL1035354 0.79 ESR1 (0.56) CES1CES2TSHRALDH1A1DAO
SCHEMBL1800935 0.79
SCHEMBL10877617 0.79 CES2 (0.52) CES1CES2TSHRALDH1A1DAO

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 5439 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279875-B Grease composition 出光兴产株式会社 2024-01-12 CN claimed
CN-116547321-A Photopolymerizable composition, optical member formed therefrom, and display device 株式会社东进世美肯 2023-08-04 CN claimed
CN-113490734-B Grease composition 出光兴产株式会社 2023-08-01 CN claimed
CN-113490733-B Grease composition, and method and device for lubricating sliding mechanism using same 出光兴产株式会社 2023-07-28 CN claimed
CN-113508171-B Grease composition 出光兴产株式会社 2023-06-06 CN claimed
CN-113348234-B Grease composition 出光兴产株式会社 2023-03-21 CN claimed
CN-114920751-B Three-center metal complex and application thereof 齐齐哈尔大学 2022-12-13 CN claimed
CN-112639060-B Grease composition for constant velocity joints 出光兴产株式会社 2022-12-09 CN claimed
CN-115124828-A Polyamide composition and preparation method thereof 万华化学(宁波)有限公司 2022-09-30 CN claimed
CN-114920751-A Three-center metal complex and application thereof 齐齐哈尔大学 2022-08-19 CN claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US claimed