SCHEMBL2774752

SCHEMBL2774752

CCCC(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
PAM P19021 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
AKR1B1 P15121 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5358430 0.88 TDP1 (0.57) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL27139938 0.86 TSHR (0.58) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL11522042 0.86 MEN1 (0.59) ALDH1A1TSHRL3MBTL1MAPK1CES2
SCHEMBL248113 0.86 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL23069543 0.85 TDP1 (0.61) ALDH1A1L3MBTL1KDM4EKMT2ATDP1
SCHEMBL25187337 0.85 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL10575940 0.83 TDP1 (0.63) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL4606935 0.82 HDAC1 (0.56) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL4644523 0.81 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1MAPK1PAM
SCHEMBL27825851 0.81 HDAC1 (0.55) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A

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

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118526000-A Preparation method of buccal product 东莞市吉纯生物技术有限公司 2024-08-23 CN claimed
EP-3634503-B1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES INC (US) 2024-01-10 EP claimed
CN-115068619-A Preparation method of photo-thermal dual-response composite carrier, prepared composite carrier and application of composite carrier 北京化工大学 2022-09-20 CN claimed
WO-2022128057-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF COLLAGEN DEGRADATION IN HUMAN CONNECTING TISSUE SYMRISE AG (DE) 2022-06-23 WO claimed
CN-216630748-U Production device of high-purity phenylacetic acid ethyl ester 沈阳万菱生物技术有限公司 2022-05-31 CN claimed
US-20210402035-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors and Fragrances, Inc. 2021-12-30 US claimed
CN-112225721-B Acid-responsive near-infrared lysosome organic small-molecule fluorescent probe and preparation method and application thereof 复旦大学 2021-09-17 CN claimed
CN-112225721-A Acid-responsive near-infrared lysosome organic small-molecule fluorescent probe and preparation method and application thereof 复旦大学 2021-01-15 CN claimed
EP-3634503-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors & fragrances, Inc. (US) 2020-04-15 EP claimed
WO-2018213551-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES, INC. (US) 2018-11-22 WO claimed
CN-107459535-A Polysubstituted quinoline coordinated iridium hybrid compound and preparation method and application thereof 南京工业大学 2017-12-12 CN claimed
CN-106674011-A Method of synthesizing indanone derivative from dimethyl sulfoxide 南京理工大学 2017-05-17 CN claimed
EP-3634503-B1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES INC (US) 2024-01-10 EP disclosed
US-11771793-B2 Malodor reduction in air care applications Agilex Flavors and Fragrances, Inc. (US) 2023-10-03 US disclosed
CN-115068619-A Preparation method of photo-thermal dual-response composite carrier, prepared composite carrier and application of composite carrier 北京化工大学 2022-09-20 CN disclosed
WO-2022128057-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF COLLAGEN DEGRADATION IN HUMAN CONNECTING TISSUE SYMRISE AG (DE) 2022-06-23 WO disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed