SCHEMBL27919217

SCHEMBL27919217

CNc1cccc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.46
▸ TRPV1 Q8NER1 11/20 0.46
▸ CYP2A6 P11509 1/20 0.43
▸ GRIK1 P39086 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KEAP1 Q14145 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL27937821 0.85 FADS1 (0.46) FADS1TRPV1CYP2A6GRIK1KDM4E
SCHEMBL16194362 0.78 CYP2A6 (0.59) TRPV1CYP2A6ALDH1A1KEAP1MEN1
SCHEMBL6583801 0.77 TRPV1 (0.54) TRPV1KDM4EMEN1RAB9AKMT2A
SCHEMBL27919313 0.77 KEAP1 (0.38) TRPV1CYP2A6KDM4EALDH1A1KEAP1
SCHEMBL27919123 0.77 CYP1A2 (0.43) TRPV1CYP2A6KDM4EALDH1A1GAA
Chlorobenzene SCHEMBL27638367 0.76 FADS1 (0.53) FADS1CYP2A6GRIK1KDM4EALDH1A1
SCHEMBL49308 0.74 KEAP1 (0.61) CYP2A6KDM4EALDH1A1GAAKEAP1
SCHEMBL24163246 0.74 HTR6 (0.47) TRPV1KDM4EALDH1A1KEAP1
SCHEMBL27919315 0.74 CYP1A2 (0.50) TRPV1CYP2A6KDM4EALDH1A1GAA
SCHEMBL8838321 0.74 MTNR1A (0.56) TRPV1CYP2A6KDM4EALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 — — CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 — — CN disclosed
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