SCHEMBL2223451

SCHEMBL2223451

Cc1cc(-c2nc3cnc(Oc4ccccc4C(F)(F)F)nc3o2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
CETP P11597 6/20 0.41
RORC P51449 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
NR1H3 Q13133 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TRPA1 O75762 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL2222684 0.88 S1PR1 (0.48) S1PR1MRGPRX1POLBGAAKMT2A
SCHEMBL14797002 0.85 S1PR1 (0.65) S1PR1CETPRORC
SCHEMBL2221033 0.82 S1PR1 (0.49) S1PR1CETPKMT2A
SCHEMBL2229154 0.78 ESR1 (0.47) S1PR1CETPMRGPRX1ESR1ESR2
SCHEMBL14797111 0.78 S1PR1 (0.65) S1PR1CETP
SCHEMBL2225375 0.78 S1PR1 (0.44) S1PR1ESR1ESR2POLBGAA
SCHEMBL14797332 0.77 S1PR1 (0.69) S1PR1CETP
SCHEMBL2222186 0.77 S1PR1 (0.48) S1PR1
SCHEMBL2224919 0.77 S1PR1 (0.49) S1PR1CETPGAA
SCHEMBL2225306 0.76 S1PR1 (0.54) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed