SCHEMBL7419737

SCHEMBL7419737

CCCCCCOC(COCC[O])OCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.46
LPAR3 Q9UBY5 4/20 0.46
USP2 O75604 1/20 0.43
LPAR2 Q9HBW0 1/20 0.42
HTT P42858 1/20 0.42
DNM1 Q05193 1/20 0.41
TLR2 O60603 2/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PLA2G2C Q5R387 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 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
SCHEMBL703310 0.93 LPAR1 (0.41) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL14958388 0.84 USP2 (0.55) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL28458040 0.82 USP2 (0.48) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL7418215 0.82 LPAR1 (0.45) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL9502490 0.79 TSHR (0.42) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL7415858 0.78 HSD17B10 (0.34)
SCHEMBL28729471 0.78 USP2 (0.44) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL10908954 0.78 USP2 (0.52) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL9850818 0.78 USP2 (0.52) LPAR1LPAR3USP2LPAR2HTT
SCHEMBL6975117 0.78 USP2 (0.52) LPAR1LPAR3USP2LPAR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed