SCHEMBL631089

SCHEMBL631089

COC(=O)c1ccc(CCC(=O)NC2CCCCC2)cc1-c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
BACE1 P56817 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 2/20 0.46
HSP90B1 P14625 1/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 2/20 0.45
DVL1 O14640 1/20 0.44
DVL3 Q92997 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL628806 0.80 MEN1 (0.41) MEN1KMT2A
SCHEMBL628441 0.80 FFAR1 (0.53) KDM4E
Hydrochloric Acid SCHEMBL629209 0.80 MEN1 (0.41) MEN1KMT2A
SCHEMBL7870252 0.78 DVL1 (0.37) ALDH1A1TSHRDVL1DVL3
SCHEMBL6625203 0.78 FNTA (0.63)
SCHEMBL6627150 0.78 FNTA (0.63)
SCHEMBL10193212 0.78 L3MBTL1 (0.47) TSHRBACE1
SCHEMBL7869097 0.78 NPC1 (0.56) BACE1HPGDMEN1KMT2ANPC1
SCHEMBL7862503 0.77 FNTA (0.62)
SCHEMBL7870276 0.77 FNTA (0.62)

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