SCHEMBL6441941

SCHEMBL6441941

[LiH].[LiH].c1ccc(CC(CCC(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.46
SLC18A2 Q05940 1/20 0.44
ANPEP P15144 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CALM1 P0DP23 1/20 0.43

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
SCHEMBL4981467 0.85 EPHX1 (0.60) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL24108632 0.84 EPHX1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7085691 0.84 EPHX1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Ammonia Solution, Strong SCHEMBL21412646 0.82 EPHX1 (0.57) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1047441 0.82 SIGMAR1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5151522 0.82 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL17529801 0.82 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11145503 0.82 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL27865578 0.82 TRPA1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8866500 0.79 EPHX1 (0.43) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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