SCHEMBL13461068

SCHEMBL13461068

CC(C)Oc1ccc(C(=O)NCc2cc(-c3cccc(C=O)c3)cc3c2OCC3)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HPGD P15428 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC5A2 P31639 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MT-CO2 P00403 1/20 0.32
▸ EZH2 Q15910 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL13460887 0.89 TP53 (0.37) PTGESMTNR1AMTNR1BMAPTNPC1
SCHEMBL3416704 0.88 PPARA (0.41) PTGESMTNR1AMTNR1BEPHX2NR1H4
SCHEMBL13460891 0.88 HPGD (0.39) PTGESHPGDMAPTGAANPC1
SCHEMBL13460886 0.82 PPARD (0.40) MTNR1AMTNR1BEPHX2NR1H4HPGD
SCHEMBL13460953 0.81 PTGES (0.38) PTGESMAPTKMT2AMCHR1MEN1
SCHEMBL13460769 0.81 PPARA (0.47) MTNR1AMTNR1BHPGDMAPTGAA
SCHEMBL13460753 0.79 PPARD (0.41) MTNR1AMTNR1BEPHX2NR1H4HPGD
SCHEMBL13461056 0.78 PPARD (0.45) TP53
SCHEMBL13460804 0.77 SCN2A (0.39) MTNR1AMTNR1BEPHX2NR1H4HPGD
SCHEMBL3417366 0.77 PPARD (0.45) EPHX2NR1H4MAPTNPC1RAB9A

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
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