SCHEMBL8736684

SCHEMBL8736684

C#CCC/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

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
MAOB P27338 2/20 0.41
MAOA P21397 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15388019 0.88 SIGMAR1 (0.42) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL15388020 0.88 SIGMAR1 (0.42) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL15387971 0.86 SIGMAR1 (0.41) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL15387972 0.86 SIGMAR1 (0.41) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL27280793 0.81 SIGMAR1 (0.46) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7939387 0.79 IDO1 (0.56) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7568412 0.79 IDO1 (0.56) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL10430031 0.79 IDO1 (0.56) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL97314 0.79 PAM (0.48) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL97313 0.79 PAM (0.48) 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
EP-0540259-B1 Integrated thermoplastic resin/silicone rubber articles and methods of making them SHINETSU CHEMICAL CO (JP) 1998-03-11 EP claimed