SCHEMBL3764075

SCHEMBL3764075

CCCCCCC(CC)COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.70
PRSS2 P07478 1/20 0.70
PRSS3 P35030 1/20 0.70
ALDH1A1 P00352 8/20 0.61
CYP3A4 P08684 4/20 0.61
CA2 P00918 1/20 0.61
TSHR P16473 5/20 0.58
MAPK1 P28482 4/20 0.58
LMNA P02545 4/20 0.56
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
PPARA Q07869 2/20 0.40
TP53 P04637 1/20 0.38
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
SLC37A4 O43826 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3764072 0.89 PRSS1 (0.77) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28620299 0.87 ALDH1A1 (0.73) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3773194 0.86 ALDH1A1 (0.50) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3772079 0.86 PRSS1 (0.90) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28117428 0.86 PRSS1 (0.90) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL6579655 0.85 ALDH1A1 (0.73) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28117745 0.84 PRSS1 (0.87) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30558728 0.83 PRSS1 (0.65) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL29094249 0.83 PRSS1 (0.65) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL14377252 0.82 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228135-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT KYODO YUSHI CO., LTD. (JP) 2014-08-14 US disclosed
US-20100323934-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT NTN CORPORATION (JP) 2010-12-23 US disclosed