SCHEMBL10703543

SCHEMBL10703543

CC(C)Oc1cc(OC(=O)C(C)C)c2ccccc2c1OC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADRB2 P07550 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
SCHEMBL9627599 0.87 HTT (0.44) HTTALDH1A1ALOX15ELANEKLKB1
SCHEMBL9627634 0.84 HTT (0.63) HTTALDH1A1ACHEIRAK4KMT2A
SCHEMBL9628373 0.83 SLC2A1 (0.43) HTTALDH1A1ALOX15KLKB1KMT2A
SCHEMBL10707130 0.83 ELANE (0.42) HTTALOX15ELANEKLKB1MEN1
SCHEMBL30003194 0.82 HTT (0.65) HTTALDH1A1ALOX15ELANEKLKB1
SCHEMBL10705564 0.81 HTT (0.42) HTTALDH1A1ACHEIRAK4ALOX15
SCHEMBL10705634 0.81 CNR1 (0.42) HTTALDH1A1ALOX15ELANEKLKB1
SCHEMBL30003139 0.81 ALOX15 (0.47) HTTALOX15ELANEKLKB1MEN1
SCHEMBL10705899 0.80 ELANE (0.44) HTTALDH1A1ACHEIRAK4ELANE
SCHEMBL20398569 0.79 ELANE (0.50) HTTALDH1A1ALOX15ELANEKLKB1

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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