SCHEMBL9642684

SCHEMBL9642684

CCC(=O)Oc1c(OC)c(OC)c(O)c2cc(C)c(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.42
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ABCB11 O95342 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LDHA P00338 2/20 0.33
▸ LDHB P07195 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ FASN P49327 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL9643555 0.92 ALDH1A1 (0.44) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9641652 0.90 AKR1B1 (0.43) AKR1B1ALDH1A1LMNAABCB11KDM4E
SCHEMBL9641884 0.84 ABCB11 (0.40) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9641841 0.84 ABCB11 (0.40) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9641584 0.83 ABCB11 (0.54) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9642734 0.81 ABCB11 (0.40) ALDH1A1ABCB11ACHEKDM4EKMT2A
SCHEMBL9641700 0.81 AKR1B1 (0.40) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9642834 0.81 ABCB11 (0.40) ALDH1A1ABCB11ACHEKDM4EKMT2A
SCHEMBL9641694 0.81 THRA (0.39) AKR1B1POLBALDH1A1LMNAHTT
SCHEMBL9641940 0.81 AKR1B1 (0.41) AKR1B1ALDH1A1LMNAHTTABCB11

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
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 — — EP disclosed
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