SCHEMBL15310299

SCHEMBL15310299

O=C(O)C1CCN(C(=O)COc2ccc(-c3nc4cnc(Oc5ccccc5F)nc4o3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.47
S1PR3 Q99500 7/20 0.44
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.39

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
SCHEMBL15310300 0.92 HPGD (0.41) S1PR1S1PR3HPGDFKBP1A
SCHEMBL15310028 0.87 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL2227122 0.87 POLB (0.46) S1PR1HPGDFKBP1A
SCHEMBL2223582 0.86 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL15310209 0.85 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL15310001 0.84 S1PR1 (0.53) S1PR1HPGDFKBP1A
SCHEMBL15309861 0.82 POLB (0.42) HPGDFKBP1A
SCHEMBL15310032 0.80 S1PR1 (0.51) S1PR1HPGDFKBP1A
SCHEMBL15310136 0.79 S1PR1 (0.53) S1PR1
SCHEMBL2227123 0.79 HPGD (0.43) S1PR1HPGDFKBP1A

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