SCHEMBL7939115

SCHEMBL7939115

OCc1c2ccccc2cc2cccc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
HTR2A P28223 1/20 0.44
CYP1A2 P05177 3/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
CES1 P23141 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 2/20 0.35
GPR35 Q9HC97 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL7938127 0.81 ALDH1A1 (0.52) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL9505803 0.80 ALDH1A1 (0.46) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL7938146 0.79 L3MBTL1 (0.48) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL30095985 0.79 CYP1A2 (0.47) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL7938133 0.79 HTR2A (0.48) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL1070803 0.79 CYP1A2 (0.47) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL59671 0.79 HTR2A (0.60) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL29367221 0.79 HTR2A (0.60) L3MBTL1HTR2ACYP1A2ERBB2FYN
Methane SCHEMBL27842569 0.77 HTR2A (0.58) L3MBTL1HTR2ACYP1A2ERBB2FYN
SCHEMBL7939364 0.77 HTR2A (0.42) L3MBTL1HTR2ACYP1A2ERBB2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 US disclosed