SCHEMBL628441

SCHEMBL628441

COC(=O)c1ccc(CCC(=O)O)cc1-c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
FFAR4 Q5NUL3 8/20 0.53
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
CHRM2 P08172 1/20 0.43
S1PR1 P21453 1/20 0.43
FPR1 P21462 1/20 0.43
FPR3 P25089 1/20 0.43
GPR183 P32249 1/20 0.43
APLNR P35414 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL628950 0.87 SRD5A2 (0.48) FFAR1FFAR4PLA2G10PLA2G2AKDM4E
SCHEMBL628506 0.84 PTPN1 (0.39) FFAR1FFAR4KDM4E
SCHEMBL628630 0.84 LOXL2 (0.50) KDM4E
SCHEMBL6624770 0.84 SLC6A3 (0.46) KDM4E
SCHEMBL629251 0.84 KDM4E (0.40) FFAR1FFAR4KDM4E
SCHEMBL6625716 0.83 SLC6A3 (0.43) KDM4E
SCHEMBL6774395 0.83 SLC6A3 (0.44) KDM4E
SCHEMBL630123 0.83 SLC6A3 (0.43) KDM4E
SCHEMBL5171019 0.81 FFAR1 (0.61) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL631089 0.80 ALDH1A1 (0.52) KDM4E

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-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed