SCHEMBL28805668

SCHEMBL28805668

CCCCCCCCCCc1cc(NC)c2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ PTGS2 P35354 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ GPR3 P46089 1/20 0.38

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
SCHEMBL27919171 1.00 MAPT (0.47) MAPTPTGS2KCNH2HTR2AKDM4E
SCHEMBL27919136 0.94 TRPV1 (0.40) MAPTTRPV1
SCHEMBL11787824 0.87 EPHX1 (0.39) MAPTKDM4EKMT2A
SCHEMBL28807531 0.84 TRPV1 (0.46) PTGS2KCNH2HTR2AKDM4ETRPV1
SCHEMBL27937790 0.84 TRPV1 (0.46) PTGS2KCNH2HTR2AKDM4ETRPV1
SCHEMBL27919311 0.80 CYP1A2 (0.47) KDM4E
SCHEMBL11780513 0.80 MAPT (0.50) MAPTPTGS2KCNH2KDM4ECYP3A4
SCHEMBL8563043 0.80 MAPT (0.50) MAPTPTGS2KCNH2KDM4ECYP3A4
SCHEMBL14051803 0.78 PTGS2 (0.51) MAPTPTGS2KDM4ECYP3A4
SCHEMBL5749277 0.78 MAPT (0.49) MAPTPTGS2HTR2AKDM4ECYP3A4

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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