SCHEMBL7501162

SCHEMBL7501162

COc1ccccc1C1CCC(=O)C=C1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIN1 Q13526 1/20 0.42
POLL Q9UGP5 1/20 0.42
POLB P06746 1/20 0.40
HTR2C P28335 2/20 0.40
HHAT Q5VTY9 1/20 0.40
FABP3 P05413 1/20 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
SCHEMBL7969548 1.00 CYP19A1 (0.45) CYP19A1PKMKMT2AMEN1ALDH1A1
SCHEMBL8088303 0.88 GAA (0.53) CYP19A1PKMKMT2AMEN1ALDH1A1
SCHEMBL1944080 0.79 CYP19A1 (0.46) CYP19A1PKMKMT2AMEN1ALDH1A1
SCHEMBL7969978 0.77 CTRB1 (0.46) CYP19A1KMT2AMEN1POLB
SCHEMBL7991029 0.77 CTRB1 (0.46) CYP19A1KMT2AMEN1POLB
SCHEMBL6844052 0.77 CTRB1 (0.46) CYP19A1KMT2AMEN1POLB
SCHEMBL8088304 0.77 POLL (0.47) CYP19A1PKMKMT2AMEN1ALDH1A1
SCHEMBL8111417 0.72 IDO1 (0.48) ALDH1A1KDM4EGAAPOLBHTR2C
SCHEMBL10725754 0.71 CYP19A1 (0.52) CYP19A1KMT2AMEN1KDM4EPOLL
SCHEMBL9692681 0.70 FABP3 (0.40) CYP19A1PKMKMT2AMEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948483-B1 FARNESYL TRANSFERASE INHIBITORS AVENTIS PHARMA SA (FR) 2002-03-13 EP disclosed
US-6218406-B1 AS ANTITUMOR AND ANTILEUKEMIC AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-17 US disclosed
US-6124465-A Farnesyl transferase inhibitors, their preparation, the pharmaceutical compositions which contain them and their use in the preparation of medicaments RHONE-POULENC S.A. (FR) 2000-09-26 US disclosed
US-6013662-A ANTITUMOR, ANTICARCINOGENIC AGENTS RHONE-POULENC RORER S.A. (FR) 2000-01-11 US disclosed
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 WO disclosed