SCHEMBL27958960

SCHEMBL27958960

CC(=O)C=Cc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
IAPP P10997 2/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1404977 0.85 MAPT (0.53) MAPTLMNAIAPPPTGS1ALDH1A1
SCHEMBL1404976 0.85 MAPT (0.53) MAPTLMNAIAPPPTGS1ALDH1A1
SCHEMBL11210618 0.79 ESR1 (0.60) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL11210622 0.79 ESR1 (0.60) MAPTSMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL26601267 0.79 MAPT (0.67) MAPTLMNAIAPPPTGS1ALDH1A1
SCHEMBL1404884 0.77 MAPT (0.59) MAPTLMNAIAPPPTGS1ALDH1A1
SCHEMBL27959041 0.77 MAPT (0.59) MAPTLMNASMN1; SMN2IAPPPTGS1
SCHEMBL1404883 0.77 MAPT (0.59) MAPTLMNAIAPPPTGS1ALDH1A1
SCHEMBL17225904 0.77 MAPT (0.59) MAPTLMNASMN1; SMN2IAPPPTGS1
SCHEMBL332380 0.77 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755715-A Benzofuran [2, 3-c] pyridine compound and synthetic method thereof UNIV WUHAN TECH 2014-04-30 CN claimed
CN-103755715-B Cumarone is [2,3-c] pyridine compounds and synthetic method thereof also WUHAN UNIVERSITY OF TECHNOLOGY (CN) 2015-12-09 CN disclosed
CN-103755715-A Benzofuran [2, 3-c] pyridine compound and synthetic method thereof UNIV WUHAN TECH 2014-04-30 CN disclosed