SCHEMBL6130074

SCHEMBL6130074

CCCCCCCCCCCCCCCCOC(CCCCCC)CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.42
MCHR1 Q99705 1/20 0.40
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
PSMD10 O75832 1/20 0.37
NR1I2 O75469 1/20 0.36
CA2 P00918 9/20 0.36
CA1 P00915 8/20 0.36
CA9 Q16790 8/20 0.36
CA12 O43570 4/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36

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
SCHEMBL5279496 0.88 MCHR1 (0.41) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL9489603 0.87 PLA2G2C (0.42) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL8944916 0.87 PLA2G2C (0.42) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL8085071 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL2194649 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL4193998 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL3088278 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL5015857 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL974536 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD
SCHEMBL10725263 0.86 RECQL (0.50) PLA2G2CMCHR1RECQLGLAHPGD

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
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 EP disclosed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 EP disclosed
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 WO disclosed