SCHEMBL9842982

SCHEMBL9842982

CC1(C)CC(c2ccccc2)CC(C)(C)C1(OC#N)OC#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.38
▸ KDM1A O60341 10/20 0.38
▸ MAOA P21397 10/20 0.38
▸ MAOB P27338 10/20 0.38
▸ BRD4 O60885 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ KCNA3 P22001 1/20 0.32

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
SCHEMBL7254284 0.71 TRPA1 (0.53) TRPA1KDM1AMAOAMAOBBRD4
SCHEMBL7634175 0.65 KDM1A (0.54) TRPA1KDM1AMAOAMAOB
SCHEMBL9842987 0.64 NPC1 (0.36) —
Acetonitrile SCHEMBL27499033 0.63 TRPA1 (0.45) TRPA1KDM1AMAOAMAOBDRD2
SCHEMBL727295 0.63 CUL4A (0.30) —
Cyanide SCHEMBL27790784 0.62 KDM1A (0.59) KDM1AMAOAMAOB
SCHEMBL4349095 0.62 TRPA1 (0.47) TRPA1KDM1AMAOAMAOBBRD4
SCHEMBL12200086 0.62 KDM1A (0.56) KDM1AMAOAMAOB
SCHEMBL18653536 0.62 TRPA1 (0.40) TRPA1KDM1AMAOAMAOBBRD4
SCHEMBL10433189 0.62 KDM1A (0.48) TRPA1KDM1AMAOAMAOBBRD4

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-0413087-A1 Photosensitive composition and use thereof International Business Machines Corporation (US) 1991-02-20 — — EP disclosed
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