SCHEMBL10705634

SCHEMBL10705634

CCCOc1cc(OC(=O)C(C)C)c2ccccc2c1OC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.42
▸ CNR2 P34972 4/20 0.42
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL9628373 0.89 SLC2A1 (0.43) HTTALOX15ADRB2SMN1; SMN2ALDH1A1
SCHEMBL10708295 0.84 CNR1 (0.44) CNR1CNR2HTTALOX15ALDH1A1
SCHEMBL9713960 0.84 CNR1 (0.44) CNR1CNR2HTTALOX15ALDH1A1
SCHEMBL9657067 0.83 CNR1 (0.43) CNR1CNR2HTTSMN1; SMN2MAOB
SCHEMBL9627873 0.82 HTT (0.60) CNR1CNR2HTTSMN1; SMN2ALDH1A1
SCHEMBL30003139 0.82 ALOX15 (0.47) HTTALOX15ADRB2LMNAMAPT
SCHEMBL9627599 0.82 HTT (0.44) HTTALOX15SMN1; SMN2ALDH1A1LMNA
SCHEMBL9659324 0.81 CNR1 (0.44) CNR1CNR2HTTSMN1; SMN2ALDH1A1
SCHEMBL9659432 0.81 CNR1 (0.44) CNR1CNR2HTTSMN1; SMN2MAOB
SCHEMBL10703543 0.81 HTT (0.43) HTTALOX15ADRB2SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 — — EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 — — EP disclosed
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