SCHEMBL628950

SCHEMBL628950

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.48
FFAR1 O14842 3/20 0.46
SLC22A12 Q96S37 1/20 0.44
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL628441 0.87 FFAR1 (0.53) FFAR1PLA2G10PLA2G2AFFAR4KDM4E
SCHEMBL6624770 0.86 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL628630 0.86 LOXL2 (0.50) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL628498 0.86 ALDH1A1 (0.43) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL6625716 0.85 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL630123 0.85 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL6774395 0.85 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL2267132 0.82 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2ALDH1A1TSHR
SCHEMBL630057 0.82 MEN1 (0.46) SLC6A3SLC6A4SLC6A2GAAALDH1A1
SCHEMBL26109493 0.81 SRD5A2 (0.56) SRD5A2FFAR1SLC22A12GAAALDH1A1

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