SCHEMBL8197988

SCHEMBL8197988

CCCCCCCCCCCCCCCCC(C)OC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TK1 P04183 2/20 0.32
CNR2 P34972 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CTRC Q99895 1/20 0.31

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
SCHEMBL8352545 0.85 PLA2G2A (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8353085 0.85 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8193378 0.85 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8352756 0.85 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8357808 0.85 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8357815 0.80 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL9863448 0.80 TK1 (0.36) ALDH1A1MCHR1LMNATK1CA2
SCHEMBL8347160 0.78 PLA2G2C (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8346912 0.78 PLA2G2C (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C
SCHEMBL8352925 0.78 PLA2G2C (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2C

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
WO-2000059906-A1 AMINOHETEROCYCLE-SUBSTITUTED GLYCEROLS CLARION PHARMACEUTICALS, INC. (US) 2000-10-12 WO disclosed
US-5891881-A PROPANE 1,2,3-SUBSTITUTED WITH ONE OF EACH: ETHER OR SULFIDE GROUP; HYDROXY GROUP; AND AMINOHETEROCYCLIC GROUP; WOUND HEALING PROMOTER FOR MAMMALS CLARION PHARMACEUTICALS INC. (US) 1999-04-06 US disclosed