SCHEMBL2654810

SCHEMBL2654810

O=Cc1ccc(OCCCC(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
FFAR4 Q5NUL3 7/20 0.52
FFAR1 O14842 4/20 0.52
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
PDE2A O00408 3/20 0.47
P2RY12 Q9H244 2/20 0.47
CYP2C9 P11712 1/20 0.47
SCN5A Q14524 1/20 0.47
PPARA Q07869 2/20 0.44
PPARG P37231 2/20 0.44
ALB P02768 1/20 0.44

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
SCHEMBL31321940 0.93 S1PR1 (0.51) S1PR1S1PR3FFAR4FFAR1PPARG
SCHEMBL19358277 0.84 TRIM24 (0.53) FFAR4FFAR1PDE3BPDE3APDE2A
SCHEMBL23804143 0.83 MCL1 (0.58) PDE3BPDE3APDE2AP2RY12
SCHEMBL116455 0.83 FFAR4 (0.62) FFAR4FFAR1CYP2C9SCN5A
SCHEMBL1626220 0.83 TDP1 (0.48) S1PR1S1PR3
SCHEMBL29700092 0.83 FFAR4 (0.62) FFAR4FFAR1CYP2C9SCN5A
SCHEMBL2332483 0.82 PDE3B (0.47) FFAR4FFAR1PDE3BPDE3APDE2A
SCHEMBL2325134 0.81 PDE3B (0.46) FFAR4FFAR1PDE3BPDE3APDE2A
SCHEMBL30983963 0.80 TDP1 (0.46) S1PR1S1PR3
SCHEMBL1124419 0.80 ALDH1A1 (0.58) S1PR1FFAR4FFAR1PDE3BPDE3A

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-1585517-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-10-19 EP disclosed
WO-2004062663-A1 USE OF SUBSTITUTED 2-PHENYLBENZIMIDAZOLES AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO disclosed