SCHEMBL9643999

SCHEMBL9643999

COc1c(OC)c(OC(=O)C(C)C)c2ccccc2c1OC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ KLKB1 P03952 1/20 0.46
▸ ELANE P08246 3/20 0.45
▸ ABCB11 O95342 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE4A P27815 1/20 0.37

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
SCHEMBL10706974 0.90 KDM4E (0.44) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL20398569 0.88 ELANE (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL9643982 0.82 L3MBTL1 (0.41) KDM4EALDH1A1CYP1A2CYP2C9IDO1
SCHEMBL9642591 0.82 L3MBTL1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL9642066 0.82 ABCB11 (0.48) KDM4EALDH1A1ELANEABCB11L3MBTL1
SCHEMBL9656750 0.81 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL9627599 0.80 HTT (0.44) KDM4EALDH1A1SMN1; SMN2KLKB1ELANE
SCHEMBL9642160 0.80 ABCB11 (0.70) ALDH1A1ELANEABCB11PDE4D
SCHEMBL9643543 0.80 ABCB11 (0.41) ALDH1A1KLKB1ELANEABCB11L3MBTL1
SCHEMBL9643487 0.79 L3MBTL1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 — — EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 — — US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 — — EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 — — US disclosed
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