SCHEMBL8944756

SCHEMBL8944756

O=C(O)c1ccccc1-c1ccc(Cn2c(-c3ccco3)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.61
▸ AGTR1 P30556 2/20 0.59
▸ AGTR2 P50052 2/20 0.59
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ LMNA P02545 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HPGD P15428 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL8391622 0.86 PPARG (0.69) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8392766 0.86 ALDH1A1 (0.49) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8392673 0.83 PPARG (0.66) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8396864 0.82 PPARG (0.72) PPARGAGTR1AGTR2
SCHEMBL8944521 0.81 PPARG (0.63) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8391717 0.80 PPARG (0.71) PPARGAGTR1AGTR2
SCHEMBL8394773 0.80 PPARG (0.71) PPARGAGTR1AGTR2
SCHEMBL8393562 0.80 SMN1; SMN2 (0.73) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8393577 0.80 PPARG (0.61) PPARGAGTR1AGTR2ALDH1A1HSD17B10
SCHEMBL8396012 0.79 PPARG (0.80) PPARGAGTR1AGTR2

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
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