SCHEMBL9220741

SCHEMBL9220741

Cc1cccc(C(=O)c2ccc(Cl)cc2)c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KMT2A Q03164 2/20 0.49
NR4A1 P22736 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11856341 0.83 HPGD (0.53) MAPTKMT2ANR4A1ALDH1A1KDM4E
SCHEMBL9212096 0.83 MAPT (0.46) MAPTKMT2ANR4A1KDM4ERAB9A
SCHEMBL20509554 0.79 ALDH1A1 (0.60) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL830740 0.77 KMT2A (0.60) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL2393841 0.77 MAPT (0.51) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL1887188 0.76 KMT2A (0.77) MAPTKMT2AKDM4EHTTRAB9A
SCHEMBL11525777 0.75 KDM4E (0.48) MAPTKMT2ANR4A1ALDH1A1KDM4E
SCHEMBL7585613 0.75 NR4A1 (0.56) MAPTKMT2ANR4A1ALDH1A1KDM4E
SCHEMBL12405804 0.74 NR4A1 (0.65) MAPTKMT2ANR4A1ALDH1A1KDM4E
SCHEMBL1820870 0.74 NR4A1 (0.65) KMT2ANR4A1ALDH1A1KDM4ENPC1

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-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed