SCHEMBL12177475

SCHEMBL12177475

O=C1S/C(=C\c2cccc(-c3ccccc3)c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.73
▸ ENPP2 Q13822 6/20 0.63
▸ PTPN1 P18031 5/20 0.61
▸ ACP1 P24666 5/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ PTPN2 P17706 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ PIM1 P11309 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55

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
SCHEMBL12177286 0.94 PPARG (0.76) PPARGENPP2PTPN1ACP1MEN1
SCHEMBL12177742 0.93 PPARG (0.68) PPARGENPP2PTPN1ACP1MEN1
SCHEMBL12177336 0.91 PTPN1 (0.74) PPARGENPP2PTPN1ACP1PTPN2
SCHEMBL12177549 0.90 PPARG (0.64) PPARGENPP2PTPN1ACP1PTPN2
SCHEMBL12177290 0.90 ENPP2 (0.74) PPARGENPP2PTPN1ACP1PTPN2
SCHEMBL12177416 0.89 PTPN1 (0.60) PPARGENPP2PTPN1ACP1PTPN2
SCHEMBL12177758 0.88 PPARG (0.82) PPARGENPP2PTPN1ACP1MEN1
SCHEMBL3284905 0.88 ENPP2 (0.74) PPARGENPP2PTPN1ACP1MEN1
SCHEMBL3284901 0.88 ENPP2 (0.74) PPARGENPP2PTPN1ACP1MEN1
SCHEMBL12177353 0.85 PIM1 (0.59) PPARGENPP2PTPN1ACP1ALDH1A1

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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