SCHEMBL28030312

SCHEMBL28030312

O=C(O)C(Cc1ccc(Cl)cc1)Cc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ MME P08473 3/20 0.51
▸ MAPT P10636 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL28030313 0.95 MME (0.52) ALPLCA12MMEMAPTTP53
SCHEMBL28030907 0.92 NR1H4 (0.58) ALPLCA12MMEMAPTTP53
SCHEMBL28030909 0.90 MAPT (0.55) ALPLCA12MMEMAPTTP53
SCHEMBL28030339 0.81 NR1H4 (0.58) MMEMAPTTP53NR1H4PPARG
SCHEMBL28030908 0.79 CPA1 (0.46) MMEMAPTPTPN1
SCHEMBL4663230 0.77 CYP1A2 (0.65) PPARGEPHX2PPARA
SCHEMBL27963121 0.75 MAPT (0.42) ALPLCA12MMEMAPTTP53
SCHEMBL27963122 0.72 MME (0.42) ALPLCA12MMEMAPTPPARG
SCHEMBL7713441 0.71 PPARG (0.71) PPARGEPHX2PPARA
SCHEMBL7713444 0.71 PPARG (0.71) PPARGEPHX2PPARA

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
CN-103787976-B 1-aryl-3-aryl-1H-pyrazoles-5-first hydroximic acid derivative and application thereof SHANDONG UNIVERSITY (CN) 2015-10-28 — — CN disclosed
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