SCHEMBL628506

SCHEMBL628506

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
FFAR1 O14842 4/20 0.38
FFAR4 Q5NUL3 4/20 0.38
BRS3 P32247 1/20 0.37
KDM4E B2RXH2 2/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPRC P08575 2/20 0.36
LMNA P02545 1/20 0.35

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 0.84 FFAR1 (0.53) FFAR1FFAR4KDM4E
SCHEMBL23582943 0.84 ALDH1A1 (0.40) FFAR4KDM4EALDH1A1
SCHEMBL6772428 0.82 BRD9 (0.43) KDM4EALDH1A1LMNA
SCHEMBL628630 0.79 LOXL2 (0.50) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6624770 0.79 SLC6A3 (0.46) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL629251 0.79 KDM4E (0.40) FFAR1FFAR4KDM4EFNTAFNTB
SCHEMBL23583038 0.78 ATR (0.41) FFAR4KDM4EALDH1A1LMNA
SCHEMBL23582768 0.78 FFAR4 (0.44) FFAR4KDM4EALDH1A1
SCHEMBL6625716 0.78 SLC6A3 (0.43) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6774395 0.78 SLC6A3 (0.44) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3

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
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
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed