SCHEMBL28174692

SCHEMBL28174692

Ic1ccccc1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
SCN9A Q15858 2/20 0.32
CXCR3 P49682 2/20 0.32
EPHX2 P34913 1/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL5672306 0.77 CYP3A4 (0.38) SIGMAR1SCN9AEPHX2
SCHEMBL9721529 0.75 HTR2C (0.42) SIGMAR1
SCHEMBL28318181 0.75 KDM1A (0.47)
SCHEMBL10012943 0.75 EPHX2 (0.35) SIGMAR1SCN9AEPHX2CHRNB4CHRNA3
SCHEMBL345589 0.75 HTR2A (0.42) SCN9AEPHX2
SCHEMBL5346555 0.75 EPHX2 (0.36) SIGMAR1SCN9AEPHX2
SCHEMBL27694917 0.72 CHRNB2 (0.40) SIGMAR1EPHX2
SCHEMBL3629131 0.72 KDM1A (0.52)
SCHEMBL3921079 0.72 SCN9A (0.33) SIGMAR1SCN9AEPHX2
SCHEMBL10457231 0.71 SIGMAR1 (0.33) SIGMAR1SCN9A

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
CN-107430337-A RADIATION-SENSITIVE COMPOSITION AND RESIST PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2017-12-01 CN disclosed