SCHEMBL10898528

SCHEMBL10898528

CCC(=O)c1ccc(CCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.56
THRA P10827 5/20 0.56
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.44
PLK1 P53350 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL27878347 0.89 THRA (0.61) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL20278348 0.87 MAPT (0.57) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10021819 0.83 L3MBTL1 (0.67) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL508405 0.83 MAPT (0.53) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL28199310 0.80 MAPT (0.50) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10031544 0.80 THRA (0.64) THRBTHRAMAPTKMT2AMEN1
SCHEMBL9520211 0.80 THRB (0.54) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL10452837 0.80 TAAR1 (0.54) THRBTHRAMAPTSMN1; SMN2L3MBTL1
SCHEMBL8051337 0.80 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL253937 0.79 KMT2A (0.61) THRBTHRAMAPTSMN1; SMN2L3MBTL1

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
CN-105377846-A Organic compounds INTRA CELLULAR THERAPIES INC 2016-03-02 CN disclosed
CN-105143229-A Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES INC 2015-12-09 CN disclosed
CN-105121423-A Novel 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient HYUNDAI PHARM CO LTD 2015-12-02 CN disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 EP disclosed