SCHEMBL5656896

SCHEMBL5656896

O=C(O)Oc1ccc2cc3ccc(=O)cc-3oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 5/20 0.49
GLA P06280 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
POLB P06746 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CA2 P00918 1/20 0.43
SLC16A3 O15427 1/20 0.42
APP P05067 2/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL308343 0.77 SHBG (0.67) KDM4EKMT2AGLARAB9AMEN1
SCHEMBL9359800 0.76 RARB (0.52) KDM4EKMT2AGLANPC1RAB9A
SCHEMBL307532 0.74 EGFR (0.47) KDM4EKMT2AGLANPC1RAB9A
SCHEMBL11192681 0.74 HDAC6 (0.45) RXFP1
SCHEMBL8425140 0.74 ALDH1A1 (0.59) KDM4EKMT2AGLANPC1RAB9A
SCHEMBL8329960 0.72 APP (0.40) NPC1RAB9ACA12CA9POLB
SCHEMBL29791652 0.72 PTPRC (0.59) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL223274 0.72 PTPRC (0.59) KDM4EKMT2ANPC1RAB9AMEN1
Acetic Acid Methyl Ester SCHEMBL28759160 0.70 KDM4E (0.56) KDM4EKMT2AGLANPC1RAB9A
SCHEMBL28348664 0.70 PTPRC (0.58) KDM4EKMT2ANPC1RAB9AMEN1

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
EP-1161265-A4 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR REID LORI FOX (US) 2006-01-11 EP disclosed
EP-1161265-A1 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR Reid, Lori Fox (US) 2001-12-12 EP disclosed
WO-2000054816-A1 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR REID LORI FOX (US) 2000-09-21 WO disclosed