SCHEMBL9842843

SCHEMBL9842843

O=C(O)COc1cccc(CCn2nnc(C(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.58
PTGDR Q13258 1/20 0.47
PTGIR P43119 2/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 2/20 0.46
ALDH1A1 P00352 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 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
SCHEMBL8965139 0.77 PTGDR2 (0.61) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965332 0.76 PTGDR2 (0.69) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965345 0.76 PTGDR2 (0.69) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8964950 0.74 PTGDR2 (0.68) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL3164718 0.73 PTGDR2 (1.00) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8804127 0.73 PTGDR2 (0.67) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL3168673 0.73 PTGDR2 (0.94) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965375 0.72 PTGDR2 (0.63) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965280 0.72 PTGDR2 (0.55) PTGDR2PTGDRPTGIRPPARAPPARG
SCHEMBL8965035 0.71 PTGDR2 (0.55) PTGDR2PTGDRPTGIRPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP claimed
US-4956376-A ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-11 US claimed
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed
US-4956376-A ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-11 US disclosed