SCHEMBL7519487

SCHEMBL7519487

CC(C=O)c1cc(Cl)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 4/20 0.51
HTT P42858 4/20 0.51
MAPK1 P28482 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ERN1 O75460 1/20 0.48
HPGD P15428 8/20 0.47
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 4/20 0.47
LMNA P02545 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 4/20 0.41
TP53 P04637 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
SCHEMBL20280271 0.81 TP53 (0.42) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL5217971 0.79 ERN1 (0.50) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL27624284 0.79 PSEN1 (0.41) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL27624253 0.79 CYP3A4 (0.41) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL815863 0.78 MEN1 (0.59) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL51491 0.78 MEN1 (0.59) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL27655281 0.78 HTT (0.36) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL27506948 0.78 ERN1 (0.48) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL27798051 0.78 CA3 (0.38) HTTALDH1A1GAAALOX12HIF1A
SCHEMBL838659 0.77 TP53 (0.57) KMT2AMEN1MAPTHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855224-B Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN disclosed
CN-101855224-A Equilibrative nucleoside transporter ENT 1 inhibitors JANSSEN PHARMACEUTICA NV 2010-10-06 CN disclosed
EP-0743311-B1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 2002-02-13 EP disclosed
US-5876703-A CELL DIFFERENTIATION OF HAIR MATRIX CELLS KAO CORPORATION (JP) 1999-03-02 US disclosed
US-5702691-A Flavanonol derivatives and hair-nourishing, hair growing compositions containing the derivatives KAO CORPORATION (JP) 1997-12-30 US disclosed
EP-0743311-A1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1996-11-20 EP disclosed