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Sugi Predict / Compounds / SCHEMBL7514294

SCHEMBL7514294

SCHEMBL7514294

OC(C=Cc1ccccc1)CC=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.53
▸ PAM P19021 1/20 0.47
▸ GRIK1 P39086 2/20 0.46
▸ GRIK2 Q13002 2/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ MAOB P27338 1/20 0.40

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
SCHEMBL30242388 0.82 APP (0.43) CYP1A2MAOB
SCHEMBL15184733 0.82 MEN1 (0.46) HTR2ACNR2CYP1A2MAOB
SCHEMBL15441091 0.82 MEN1 (0.46) HTR2ACNR2CYP1A2MAOB
SCHEMBL13458401 0.82 MEN1 (0.46) HTR2ACNR2CYP1A2MAOB
SCHEMBL13841244 0.82 MEN1 (0.46) HTR2ACNR2CYP1A2MAOB
SCHEMBL27898427 0.82 HTR2A (0.52) HTR2APAMGRIK1GRIK2CYP1A2
SCHEMBL4029905 0.81 HTR2A (0.59) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL7903419 0.81 HTR2A (0.59) HTR2APAMGRIK1GRIK2IDO1
SCHEMBL1853495 0.79 CYP1A2 (0.46) PAMCNR2CYP1A2MAOB
SCHEMBL1853494 0.79 CYP1A2 (0.46) PAMCNR2CYP1A2MAOB

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
EP-0918835-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS PROCTER & GAMBLE (US) 2002-01-16 — — EP disclosed