SCHEMBL7973093

SCHEMBL7973093

COc1ccccc1C1CCC(=O)CC1(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PIN1 Q13526 1/20 0.40
PKM P14618 1/20 0.39
POLL Q9UGP5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL7969974 0.78 MAPK1 (0.38) MEN1KMT2AGAA
SCHEMBL29053190 0.72 MEN1 (0.47) MEN1KMT2APOLBHSD17B10PIN1
SCHEMBL29487580 0.70 HTR2C (0.62) MEN1KMT2APOLLL3MBTL1HTR2C
SCHEMBL5290305 0.70 HTR2C (0.62) MEN1KMT2APOLLL3MBTL1HTR2C
SCHEMBL12635245 0.67 ADRA1A (0.55) MEN1KMT2APKMPOLLL3MBTL1
SCHEMBL30129583 0.67 ADRA1A (0.55) MEN1KMT2APKMPOLLL3MBTL1
SCHEMBL12635239 0.67 ADRA1A (0.55) MEN1KMT2APKMPOLLL3MBTL1
SCHEMBL12667873 0.67 ADRA1A (0.55) MEN1KMT2APKMPOLLL3MBTL1
SCHEMBL7987943 0.67 PKM (0.34) HSD17B10PKMKDM4EALDH1A1HPGD
SCHEMBL26918402 0.66 HTR2C (0.57) MEN1KMT2APOLLHTR2C

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
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