SCHEMBL15310032

SCHEMBL15310032

Cc1cc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc(C)c1OCC(=O)N1CCC(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.51
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GRIN2B Q13224 1/20 0.36
FKBP1A P62942 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL15310001 0.95 S1PR1 (0.53) S1PR1HPGDLMNAPOLBFKBP1A
SCHEMBL15310051 0.94 S1PR1 (0.54) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310136 0.90 S1PR1 (0.53) S1PR1LMNAPOLB
SCHEMBL15310033 0.90 S1PR1 (0.50) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310002 0.89 S1PR1 (0.52) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15309989 0.88 S1PR1 (0.49) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310231 0.87 S1PR1 (0.51) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310052 0.87 S1PR1 (0.53) S1PR1HPGDLMNAPOLBGRIN2B
SCHEMBL15310181 0.86 S1PR1 (0.72) S1PR1LMNAPOLBFKBP1AALDH1A1
SCHEMBL14777535 0.85 S1PR1 (0.51) S1PR1HPGD

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