SCHEMBL9643982

SCHEMBL9643982

COc1c(OC)c(OC(=O)C(C)C)c2c(C)cccc2c1OC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ ELANE P08246 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL9642591 0.97 L3MBTL1 (0.41) L3MBTL1KLKB1ELANEKDM4ECYP1A2
SCHEMBL9643487 0.97 L3MBTL1 (0.41) L3MBTL1KLKB1ELANEKDM4EMEN1
SCHEMBL9643054 0.95 ABCB11 (0.42) L3MBTL1KLKB1ELANEKDM4ECYP1A2
SCHEMBL9642855 0.95 ABCB11 (0.42) L3MBTL1KLKB1ELANEKDM4ECYP1A2
SCHEMBL9642407 0.90 L3MBTL1 (0.41) L3MBTL1KLKB1ELANEKDM4EMEN1
SCHEMBL9643110 0.90 CTSV (0.40) L3MBTL1KLKB1ELANEKDM4ECYP1A2
SCHEMBL20398650 0.85 L3MBTL1 (0.46) L3MBTL1KLKB1ELANEKDM4EMEN1
SCHEMBL9641936 0.83 ABCB11 (0.49) L3MBTL1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL9643999 0.82 KDM4E (0.50) L3MBTL1KLKB1ELANEKDM4ECYP1A2
SCHEMBL9643004 0.79 ABCB11 (0.46) L3MBTL1KDM4ECYP1A2CYP2C9IDO1

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 4 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
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 — — US disclosed
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