SCHEMBL4744260

SCHEMBL4744260

O=C(O)[C@H]1CCCN1Cc1cccc(OCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.59
SPHK1 Q9NYA1 1/20 0.53
POLB P06746 1/20 0.53
PPARA Q07869 5/20 0.53
PTGIR P43119 2/20 0.49
FFAR1 O14842 1/20 0.48
PDCD1 Q15116 4/20 0.47
PPARG P37231 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4744265 1.00 CD274 (0.59) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4745017 0.97 CD274 (0.62) CD274SPHK1POLBPPARAFFAR1
SCHEMBL4746708 0.93 PPARA (0.56) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4746703 0.93 PPARA (0.56) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4748486 0.91 POLB (0.56) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4748382 0.91 CD274 (0.53) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4748386 0.91 CD274 (0.53) CD274SPHK1POLBPPARAPTGIR
SCHEMBL4743974 0.91 PPARA (0.57) CD274SPHK1POLBPPARAPPARG
SCHEMBL4743964 0.91 PPARA (0.57) CD274SPHK1POLBPPARAPPARG
SCHEMBL4787471 0.91 CD274 (0.59) CD274SPHK1POLBPPARAPDCD1

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed