SCHEMBL15310232

SCHEMBL15310232

Cc1ccc(Oc2ncc3nc(-c4cc(C)c(OCC(=O)N5CC(OC(=O)O)C5)c(C)c4)oc3n2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
GRIN2B Q13224 5/20 0.37
MAPK14 Q16539 1/20 0.33
RXRB P28702 2/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
GRIN1 Q05586 1/20 0.32
POLB P06746 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CETP P11597 1/20 0.31
MAPT P10636 3/20 0.31
KDM6B O15054 1/20 0.31

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
SCHEMBL15309990 0.93 S1PR1 (0.48) S1PR1GRIN2BMAPK14SMN1; SMN2MEN1
SCHEMBL15310052 0.93 S1PR1 (0.53) S1PR1GRIN2BSMN1; SMN2LMNAPOLB
SCHEMBL15310231 0.91 S1PR1 (0.51) S1PR1GRIN2BMAPK14RXRBSMN1; SMN2
SCHEMBL15310159 0.89 S1PR1 (0.53) S1PR1LMNAPOLBCETPMAPT
SCHEMBL15310033 0.87 S1PR1 (0.50) S1PR1GRIN2BMAPK14SMN1; SMN2LMNA
SCHEMBL15309989 0.87 S1PR1 (0.49) S1PR1GRIN2BMAPK14SMN1; SMN2MEN1
SCHEMBL15310002 0.86 S1PR1 (0.52) S1PR1GRIN2BMAPK14SMN1; SMN2LMNA
SCHEMBL14797018 0.86 S1PR1 (0.65) S1PR1GRIN2BSMN1; SMN2LMNAFFAR1
SCHEMBL15310088 0.84 S1PR1 (0.61) S1PR1MEN1KMT2ALMNAPOLB
SCHEMBL15310051 0.83 S1PR1 (0.54) S1PR1GRIN2BSMN1; SMN2LMNAPOLB

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