SCHEMBL1035975

SCHEMBL1035975

C=CCOC(=O)CC(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
CYP3A4 P08684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CASP1 P29466 6/20 0.41
BCAT2 O15382 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9292329 0.87 CYP3A4 (0.51) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL9879546 0.83 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL4941845 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL27579705 0.83 PKM (0.48) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL28110882 0.83 CYP2C19 (0.50) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL5323999 0.80 GABBR2 (0.57) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL9857372 0.79 CASP1 (0.48) SMN1; SMN2PKMCYP3A4NPSR1CYP2C19
SCHEMBL27815512 0.79 LMNA (0.39) SMN1; SMN2CYP3A4CYP2C19ALDH1A1BCAT2
SCHEMBL295741 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL7056947 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377856-B2 Extended drain diesel lubricant formulations AFTON CHEMICAL CORPORATION (US) 2013-02-19 US claimed
US-20110003722-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2011-01-06 US claimed
US-20100292112-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2010-11-18 US claimed
US-20100292112-A1 EXTENDED DRAIN DIESEL LUBRICANT FORMULATIONS AFTON CHEMICAL CORPORATION (US) 2010-11-18 US disclosed