SCHEMBL15927490

SCHEMBL15927490

O=C(CO)c1ccc2c(c1)CCCCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
WNT3A P56704 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
RXRB P28702 2/20 0.44
SMYD3 Q9H7B4 2/20 0.44
MCHR1 Q99705 1/20 0.44
RXRA P19793 1/20 0.44
RXRG P48443 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM2B Q8NHM5 1/20 0.43

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
SCHEMBL17616020 0.90 ALDH1A1 (0.52) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL30089540 0.85 CTNNB1 (0.73) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL22493225 0.84 MAPT (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL22493258 0.84 CTNNB1 (0.55) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL15927482 0.84 MAPT (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL15927509 0.84 MAPT (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL15927498 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL15678862 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL1183589 0.81 MAPT (0.57) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL865776 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTTDP1

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-2014119617-A1 AMIDINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2014-08-07 WO disclosed