SCHEMBL3764072

SCHEMBL3764072

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.77
PRSS2 P07478 1/20 0.77
PRSS3 P35030 1/20 0.77
ALDH1A1 P00352 8/20 0.68
CYP3A4 P08684 4/20 0.68
CA2 P00918 1/20 0.68
TSHR P16473 6/20 0.64
MAPK1 P28482 4/20 0.64
LMNA P02545 4/20 0.61
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.43
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3764075 0.89 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL14377252 0.87 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3029945 0.87 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL31436407 0.87 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL203177 0.87 PRSS1 (1.00) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL6578122 0.86 ALDH1A1 (0.81) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532537 0.85 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30532536 0.85 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28396810 0.85 PRSS1 (0.97) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3773193 0.85 ALDH1A1 (0.55) 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