SCHEMBL9643555

SCHEMBL9643555

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ ACHE P22303 3/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL9642684 0.92 AKR1B1 (0.42) ALDH1A1LMNAHTTABCB11ACHE
SCHEMBL9641694 0.88 THRA (0.39) ALDH1A1LMNAHTTABCB11ACHE
SCHEMBL9641700 0.88 AKR1B1 (0.40) ALDH1A1LMNAHTTABCB11ACHE
SCHEMBL9641940 0.88 AKR1B1 (0.41) ALDH1A1LMNAHTTABCB11AKR1B1
SCHEMBL9642806 0.87 AKR1B1 (0.39) ALDH1A1LMNAHTTABCB11ACHE
SCHEMBL9641873 0.83 ABCB11 (0.48) ALDH1A1LMNAHTTABCB11ACHE
SCHEMBL9641652 0.81 AKR1B1 (0.43) ALDH1A1LMNAABCB11AKR1B1KDM4E
SCHEMBL30089732 0.81 KDM4E (0.45) ALDH1A1LMNAHTTACHEAKR1B1
SCHEMBL20398470 0.81 KDM4E (0.45) ALDH1A1LMNAHTTACHEAKR1B1
SCHEMBL9642621 0.80 ABCB11 (0.48) ALDH1A1ABCB11ACHEKDM4EKMT2A

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 7 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
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 — — EP 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
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 — — EP disclosed
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