SCHEMBL9480916

SCHEMBL9480916

C=CCCCC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
HTR2A P28223 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 1/20 0.41
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL7574911 0.96 SIGMAR1 (0.44) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL28705255 0.94 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL2243004 0.94 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL5974675 0.94 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL11199357 0.91 SIGMAR1 (0.42) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL3240089 0.89 IDO1 (0.52) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL3256288 0.87 SIGMAR1 (0.47) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL9530439 0.87 SIGMAR1 (0.47) SIGMAR1IDO1PAMHTR2AALDH1A1
SCHEMBL38654783 0.83 TSHR (0.41) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL3795388 0.82 SIGMAR1 (0.50) SIGMAR1IDO1PAMHTR2AMAOB

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-5213740-A Processes for the preparation of toner compositions XEROX CORPORATION (US) 1993-05-25 US disclosed