SCHEMBL11115680

SCHEMBL11115680

CCCCCCOCC(CC)OCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.50
LPAR3 Q9UBY5 4/20 0.50
ALDH1A1 P00352 1/20 0.47
TLR2 O60603 4/20 0.47
PLA2G2C Q5R387 2/20 0.47
LPAR2 Q9HBW0 1/20 0.47
CES2 O00748 1/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL14990967 0.85 TSHR (0.62) LPAR1LPAR3TLR2PLA2G2CLPAR2
SCHEMBL15158724 0.84 LPAR1 (0.60) LPAR1LPAR3TLR2PLA2G2CLPAR2
SCHEMBL26045825 0.84 LPAR1 (0.60) LPAR1LPAR3TLR2PLA2G2CLPAR2
SCHEMBL4436613 0.82 TSHR (0.53) LPAR1LPAR3ALDH1A1TLR2PLA2G2C
SCHEMBL18227026 0.82 ALDH1A1 (0.52) ALDH1A1
SCHEMBL4904539 0.82 LPAR1 (0.58) LPAR1LPAR3ALDH1A1TLR2PLA2G2C
SCHEMBL2197348 0.82 LPAR1 (0.58) LPAR1LPAR3ALDH1A1TLR2PLA2G2C
SCHEMBL12648546 0.81 LPAR1 (0.59) LPAR1LPAR3TLR2LPAR2USP2
SCHEMBL8406084 0.81 LPAR1 (0.59) LPAR1LPAR3TLR2LPAR2USP2
SCHEMBL12990768 0.81 LPAR1 (0.59) LPAR1LPAR3TLR2LPAR2USP2

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-4476270-A Process for making high solids acrylic dispersion lacquer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
US-4378445-A EXTERIOR FINISHES FOR AUTOMOBILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-29 US disclosed