SCHEMBL6443055

SCHEMBL6443055

[LiH].[LiH].c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.70
MAOB P27338 2/20 0.67
SIGMAR1 Q99720 9/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
HTR2A P28223 1/20 0.59
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
CASP1 P29466 1/20 0.58
HSD17B10 Q99714 1/20 0.58
IDO1 P14902 1/20 0.56

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
SCHEMBL451456 0.97 MAOA (0.74) MAOAMAOBSIGMAR1L3MBTL1HTR2A
SCHEMBL8096690 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL8095284 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL1226782 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL10831414 0.93 HTR2A (0.67) MAOAMAOBSIGMAR1HTR2AALDH1A1
SCHEMBL6546948 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL8094527 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL1433686 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL8085946 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL676854 0.93 SIGMAR1 (0.71) MAOAMAOBSIGMAR1L3MBTL1MAPT

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-20050215709-A1 Conjugated diene-vinyl aromatic hydrocarbon copolymer containing siloxane compound for promoting abrasive resistance TSRC CORPORATION 2005-09-29 US disclosed