SCHEMBL15310052

SCHEMBL15310052

Cc1cc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc(C)c1OCC(=O)N1CC(OC(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.53
HPGD P15428 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
GRIN2B Q13224 3/20 0.35
FKBP1A P62942 1/20 0.35
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 3/20 0.34
CETP P11597 1/20 0.33
CEPT1 Q9Y6K0 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL15310159 0.95 S1PR1 (0.53) S1PR1LMNAPOLBMAPTRXFP1
SCHEMBL15310033 0.94 S1PR1 (0.50) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310002 0.93 S1PR1 (0.52) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310232 0.93 S1PR1 (0.49) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310051 0.91 S1PR1 (0.54) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310137 0.88 S1PR1 (0.53) S1PR1HPGDLMNAPOLBMAPT
SCHEMBL15309990 0.87 S1PR1 (0.48) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310088 0.87 S1PR1 (0.61) S1PR1LMNAPOLBALDH1A1ACACB
SCHEMBL15310032 0.87 S1PR1 (0.51) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310001 0.86 S1PR1 (0.53) S1PR1HPGDLMNAPOLBFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed