SCHEMBL20577121

SCHEMBL20577121

COc1ccc(CCCCO)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NNMT P40261 1/20 0.41
GRM2 Q14416 1/20 0.40
DAO P14920 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL5756628 0.95 CYP4A11 (0.45) CYP4A11CYP4F2CASP3SENP8SENP7
SCHEMBL30380929 0.95 CYP4A11 (0.45) CYP4A11CYP4F2CASP3SENP8SENP7
Lithium Ion SCHEMBL29886630 0.92 CYP4A11 (0.42) CYP4A11CYP4F2CASP3SENP8SENP7
SCHEMBL3229511 0.87 NNMT (0.44) CYP4A11CYP4F2NNMTGRM2DAO
SCHEMBL20759038 0.84 CASP3 (0.59) CASP3SENP8SENP7SENP6MEN1
SCHEMBL22792257 0.83 CASP3 (0.57) CASP3SENP8SENP7SENP6MEN1
SCHEMBL19236921 0.83 CASP3 (0.57) CASP3SENP8SENP7SENP6MEN1
SCHEMBL6014373 0.83 HRH1 (0.45) CASP3SENP8SENP7SENP6NNMT
SCHEMBL13791527 0.82 CASP3 (0.53) CASP3SENP8SENP7SENP6KDM1A
SCHEMBL16797047 0.82 KDM4E (0.44) CASP3SENP8SENP7SENP6NNMT

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
WO-2018219478-A1 HETEROARYL-CARBOXAMIDES AS HISTONE DEMETHYLASE INHIBITORS ORYZON GENOMICS, S.A. (ES) 2018-12-06 WO disclosed