SCHEMBL15310231

SCHEMBL15310231

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.51
GRIN2B Q13224 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK14 Q16539 1/20 0.33
RXRB P28702 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CETP P11597 1/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 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
SCHEMBL15309989 0.93 S1PR1 (0.49) S1PR1GRIN2BSMN1; SMN2MEN1KMT2A
SCHEMBL15310051 0.92 S1PR1 (0.54) S1PR1GRIN2BSMN1; SMN2HPGDLMNA
SCHEMBL15310232 0.91 S1PR1 (0.49) S1PR1GRIN2BSMN1; SMN2MEN1KMT2A
SCHEMBL14797018 0.87 S1PR1 (0.65) S1PR1GRIN2BSMN1; SMN2LMNACETP
SCHEMBL15309990 0.87 S1PR1 (0.48) S1PR1GRIN2BSMN1; SMN2MEN1KMT2A
SCHEMBL15310032 0.87 S1PR1 (0.51) S1PR1GRIN2BSMN1; SMN2RAB9AGAA
SCHEMBL15310001 0.85 S1PR1 (0.53) S1PR1SMN1; SMN2HPGDLMNAPOLB
SCHEMBL15310087 0.83 S1PR1 (0.63) S1PR1MEN1KMT2ANPC1RAB9A
SCHEMBL15310052 0.83 S1PR1 (0.53) S1PR1GRIN2BSMN1; SMN2HPGDLMNA
SCHEMBL15310136 0.81 S1PR1 (0.53) S1PR1LMNAPOLB

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