SCHEMBL10705108

SCHEMBL10705108

COc1ccc(CCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MAOB P27338 2/20 0.54
ABCB1 P08183 2/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPBWR1 P48145 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL6279738 0.81 RAB9A (0.49) GAAMAOBKMT2AMEN1ALDH1A1
SCHEMBL17671285 0.81 KDM4E (0.54) GAAMAOBALDH1A1ATMKDM4E
SCHEMBL17329111 0.78 IDO1 (0.59) MAOBKMT2AALDH1A1ATML3MBTL1
SCHEMBL6226356 0.78 ABCB1 (0.56) MAOBABCB1HDAC1
SCHEMBL17654358 0.76 AR (0.46) GAAMAOBKDM4E
SCHEMBL10900630 0.75 MEN1 (0.63) MAOBKMT2AMEN1L3MBTL1RAB9A
SCHEMBL8267886 0.75 SOX18 (0.48) MAOBALDH1A1ATMKDM4EIDO1
SCHEMBL21622789 0.75 ABCB1 (0.56) MAOBABCB1KMT2AMEN1ALDH1A1
SCHEMBL994168 0.75 ABCB1 (0.56) ABCB1ALDH1A1RAB9AKDM4E
SCHEMBL2355634 0.74 LTA4H (0.75) ABCB1KMT2AMEN1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157679-B1 ORGANIC COMPOUND SHOWING A SMECTIC PHASE A, MIXTURE CONTAINING THIS COMPOUND AND PROCESS FOR MAKING IT THOMSON-CSF (FR) 1988-05-18 EP disclosed
EP-0157679-A1 Organic compound showing a smectic phase A, mixture containing this compound and process for making it THOMSON-CSF (FR) 1985-10-09 EP disclosed