SCHEMBL9538055

SCHEMBL9538055

CC(C)Cc1cccc(Oc2cccc(CC(C)C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.56
▸ CETP P11597 1/20 0.48
▸ FDFT1 P37268 2/20 0.45
▸ PTGES O14684 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ PNMT P11086 1/20 0.41

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
SCHEMBL8174800 0.94 CETP (0.54) TAAR1CETPFDFT1PTGESMME
SCHEMBL13718717 0.89 TAAR1 (0.60) TAAR1CETPKDM4EALDH1A1HTT
SCHEMBL13718930 0.89 TAAR1 (0.60) TAAR1CETPPPARGPPARAKDM4E
SCHEMBL24726464 0.89 TAAR1 (0.47) TAAR1CETPFDFT1PPARGPPARA
SCHEMBL13718948 0.89 FFAR1 (0.48) TAAR1CETPFDFT1PTGESMME
SCHEMBL8171976 0.88 CETP (0.47) TAAR1CETPFDFT1PTGESPPARG
SCHEMBL13719005 0.88 TAAR1 (0.46) TAAR1CETPFDFT1PPARGPPARA
SCHEMBL13719088 0.88 PPARG (0.59) TAAR1CETPFDFT1PPARGPPARA
SCHEMBL8172098 0.87 FDFT1 (0.47) TAAR1CETPFDFT1PTGESMME
SCHEMBL13719216 0.87 KMO (0.48) TAAR1CETPFDFT1PPARGPPARA

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-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
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