SCHEMBL12177353

SCHEMBL12177353

COc1ccc(CN2C(=O)S/C(=C\c3cccc(-c4ccc(OC)cc4)c3)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.59
▸ PPARG P37231 3/20 0.58
▸ CISD1 Q9NZ45 1/20 0.57
▸ PTPN1 P18031 3/20 0.57
▸ ACP1 P24666 3/20 0.57
▸ AKR1B1 P15121 1/20 0.56
▸ ENPP2 Q13822 4/20 0.56
▸ MAPK1 P28482 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HSD17B3 P37058 1/20 0.52

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
SCHEMBL12177416 0.97 PTPN1 (0.60) PIM1PPARGCISD1PTPN1ACP1
SCHEMBL12177324 0.96 PPARG (0.62) PIM1PPARGCISD1PTPN1ACP1
SCHEMBL12177785 0.96 PIM1 (0.56) PIM1PPARGCISD1PTPN1ACP1
SCHEMBL12177549 0.96 PPARG (0.64) PIM1PPARGCISD1PTPN1ACP1
SCHEMBL12177458 0.92 PTPN1 (0.71) PTPN1ACP1ENPP2
SCHEMBL12177161 0.92 PPARG (0.64) PIM1PPARGCISD1PTPN1ACP1
SCHEMBL12177396 0.89 ENPP2 (0.68) PTPN1ACP1AKR1B1ENPP2MAPK1
SCHEMBL12177684 0.89 ENPP2 (0.67) PPARGPTPN1ACP1AKR1B1ENPP2
SCHEMBL12177568 0.89 MAPK1 (0.66) PPARGPTPN1ACP1ENPP2MAPK1
SCHEMBL12177385 0.85 ENPP2 (0.71) PPARGPTPN1ACP1ENPP2MAPK1

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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