SCHEMBL9633798

SCHEMBL9633798

CCCCCCC(C)(C)C(=O)CP(=O)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.42
SMPD1 P17405 5/20 0.41
FDPS P14324 11/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
FAAH O00519 1/20 0.37

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
SCHEMBL10357106 1.00 GGPS1 (0.42) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL9632329 0.98 FDPS (0.39) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL961898 0.93 FDPS (0.36) GGPS1SMPD1FDPSKDM4ETP53
SCHEMBL10357811 0.86 FDPS (0.33) FDPS
SCHEMBL7952899 0.85 ALDH1A1 (0.36) TSHR
SCHEMBL7620336 0.82 CES2 (0.50) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL10682391 0.81 GGPS1 (0.50) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL10683628 0.81 GGPS1 (0.50) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL11383167 0.80 LPAR1 (0.44) GGPS1SMPD1FDPSLPAR1LPAR3
SCHEMBL10682984 0.79 FDPS (0.47) GGPS1SMPD1FDPSLPAR1LPAR3

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
EP-0276124-B1 PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1992-05-20 EP disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
US-3987072-A CIS-4,5-Didehydro-15- or 16-alkylated 11-deoxy-PGE1 analogs THE UPJOHN COMPANY (US) 1976-10-19 US disclosed