SCHEMBL2487972

SCHEMBL2487972

O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.51
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL2487269 0.92 PTGDR2 (0.51) PTGDR2NPC1PKMRAB9AGRM5
SCHEMBL2489821 0.85 PTGDR2 (0.69) PTGDR2NPC1PKMRAB9AGRM5
SCHEMBL2489689 0.84 PTGDR2 (0.62) PTGDR2NPC1RAB9A
SCHEMBL2487326 0.84 PTGDR2 (0.45) PTGDR2
SCHEMBL2492651 0.84 PTGDR2 (0.56) PTGDR2NPC1PKMRAB9AGRM5
SCHEMBL2490747 0.83 PTGDR2 (0.61) PTGDR2GRM5
SCHEMBL2489822 0.83 PTGDR2 (0.43) PTGDR2
SCHEMBL2493195 0.83 PTGDR2 (0.45) PTGDR2GRM5
SCHEMBL2131594 0.82 PTGDR2 (0.75) PTGDR2
SCHEMBL17818038 0.81 PTGDR2 (0.60) PTGDR2

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-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed