SCHEMBL12469698

SCHEMBL12469698

COc1ccc(C=C(CCCCCN)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALOX5 P09917 2/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ATM Q13315 1/20 0.42
AKR1C3 P42330 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2489081 0.87 APEX1 (0.53) PPARGFFAR1PPARDPPARAALOX5
SCHEMBL39941 0.87 APEX1 (0.53) PPARGFFAR1PPARDPPARAALOX5
SCHEMBL9301856 0.87 APEX1 (0.53) PPARGFFAR1PPARDPPARAALOX5
SCHEMBL2490383 0.86 ALOX5 (0.54) PPARGALOX5THRBMAPTNPC1
SCHEMBL28162326 0.84 MAPT (0.41) PPARGFFAR1PPARDPPARATHRB
SCHEMBL6367852 0.84 ALOX5 (0.58) PPARGALOX5THRBMAPTNPC1
SCHEMBL9010520 0.84 LMNA (0.46) PPARGFFAR1PPARDPPARAALOX5
SCHEMBL8153624 0.81 NPC1 (0.59) PPARGFFAR1PPARDPPARATHRB
SCHEMBL489474 0.81 ALOX5 (0.48) PPARGALOX5THRBMAPTNPC1
SCHEMBL8153618 0.81 NPC1 (0.59) PPARGFFAR1PPARDPPARATHRB

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-2012049453-A2 COMPOSITIONS FOR TOPICAL APPLICATIONS VECTUM PHARMA S.L. (ES) 2012-04-19 WO disclosed