SCHEMBL2860407

SCHEMBL2860407

CCCCc1ccc(C(N)CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 4/20 0.60
S1PR1 P21453 4/20 0.60
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
S1PR3 Q99500 3/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
RARB P10826 2/20 0.49
S1PR4 O95977 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2A P28223 1/20 0.45
PLK1 P53350 1/20 0.45
KIF11 P52732 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CA2 P00918 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL5721008 0.83 ALDH1A1 (0.47) S1PR2S1PR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5721010 0.83 ALDH1A1 (0.47) S1PR2S1PR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL23512478 0.79 S1PR1 (0.44) S1PR2S1PR1ALDH1A1SMN1; SMN2
SCHEMBL27555905 0.78 KMT2A (0.48) SMN1; SMN2THRB
SCHEMBL8986801 0.77 HSD17B10 (0.54) S1PR2S1PR1ALDH1A1HPGDHSD17B10
SCHEMBL12473375 0.77 S1PR2 (0.64) S1PR2S1PR1ALDH1A1S1PR3CYSLTR2
SCHEMBL15614012 0.77 ALDH1A1 (0.53) S1PR2S1PR1ALDH1A1HPGDHSD17B10
SCHEMBL1138613 0.75 FFAR1 (0.50) SMN1; SMN2
SCHEMBL1138675 0.75 FFAR1 (0.50) SMN1; SMN2
SCHEMBL6965546 0.75 FFAR1 (0.50) SMN1; SMN2NPC1RAB9AKIF11THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077994-B1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 EP disclosed
US-6667334-B1 Inhibitors of adhesion and migration of leukocytes and/or antagonists of adhesion receptor VLA-4 belonging to integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-23 US disclosed
EP-1077994-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2001-02-28 EP disclosed
WO-1999060015-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed