SCHEMBL16099809

SCHEMBL16099809

Nc1ccccc1C(=O)c1ccccc1[C]=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 7/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 8/20 0.44
CFTR P13569 1/20 0.44
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5577009 0.84 MAPT (0.50) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL30790667 0.83 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL112507 0.83 MAPT (0.74) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL8764887 0.81 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
Hydrochloric Acid SCHEMBL11745887 0.81 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
Ammonia Solution, Strong SCHEMBL10992665 0.81 MAPT (0.71) MAPTGAAHSD17B10TP53ALOX15
SCHEMBL6143249 0.77 CES2 (0.52) GAAALDH1A1RECQLNPC1RAB9A
SCHEMBL64069 0.76 AKR1C3 (0.57) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL1331831 0.76 AKR1C3 (0.57) MAPTGAAHSD17B10ALDH1A1KDM4E
SCHEMBL2171273 0.75 NPC1 (0.60) MAPTGAAHSD17B10ALOX15ALDH1A1

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
EP-2968670-A1 COATING FOR A SURFACE W. L. Gore & Associates, Inc. (US) 2016-01-20 EP claimed
WO-2014152378-A1 COATING FOR A SURFACE W.L. GORE & ASSOCIATES, INC. (US) 2014-09-25 WO claimed