SCHEMBL1010750

SCHEMBL1010750

CC(C(=O)O)c1cnc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.50
PTGDR2 Q9Y5Y4 8/20 0.47
TBXA2R P21731 1/20 0.47
PTGDR Q13258 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DGAT1 O75907 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
DEGS1 O15121 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GPR27 Q9NS67 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
SCHEMBL1010294 0.84 NR1H4 (0.59) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1009772 0.84 NR1H4 (0.48) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1010767 0.82 ALDH1A1 (0.48) MEN1KMT2ARAB9AKDM4E
SCHEMBL27634916 0.82 NR1H4 (0.46) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL27656110 0.82 NR1H4 (0.47) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL12568856 0.81 NR1H4 (0.49) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1650967 0.80 PTGDR2 (0.71) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1010687 0.80 ROCK2 (0.46) PTGDR2NPC1RAB9A
SCHEMBL1007096 0.79 PTGDR2 (0.61) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1010965 0.78 NR1H4 (0.55) NR1H4PTGDR2MEN1KMT2ADGAT1

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed