SCHEMBL3773193

SCHEMBL3773193

CCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CC)c(C(=O)OCC(CC)CC)c1C(=O)OCC(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 3/20 0.55
CA2 P00918 3/20 0.55
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TSHR P16473 5/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3773194 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL3764072 0.85 PRSS1 (0.77) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL420283 0.83 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL29368000 0.83 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL416531 0.80 ALDH1A1 (0.79) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6578122 0.78 ALDH1A1 (0.81) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL28161602 0.78 TSHR (0.65) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL8683637 0.77 LMNA (0.78) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL3775482 0.77 ALDH1A1 (0.68) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6010030 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4CA2PRSS1PRSS2

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