SCHEMBL9643222

SCHEMBL9643222

CCCCOc1c(OC)c(OC)c(OC(=O)C(C)(C)C)c2cc(C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.35
▸ CCNE2 O96020 2/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ GAA P10253 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ELANE P08246 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ TTR P02766 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
SCHEMBL9642611 1.00 ABCB11 (0.39) ABCB11MEN1KMT2AALDH1A1SLC6A5
SCHEMBL9642527 0.87 ABCB11 (0.48) ABCB11KMT2AALDH1A1LMNAELANE
SCHEMBL9641636 0.87 ABCB11 (0.38) ABCB11MEN1KMT2AALDH1A1GAA
SCHEMBL9642981 0.87 CNR2 (0.39) ABCB11KDM4ETSHRTP53
SCHEMBL9643238 0.87 CNR2 (0.39) ABCB11KDM4ETSHRTP53
SCHEMBL9643316 0.87 ABCB11 (0.38) ABCB11MEN1KMT2AALDH1A1GAA
SCHEMBL9643301 0.83 THRA (0.41) —
SCHEMBL9643389 0.81 ABCB11 (0.56) ABCB11MEN1KMT2AALDH1A1GAA
SCHEMBL9641749 0.81 ABCB11 (0.56) ABCB11MEN1KMT2AALDH1A1GAA
SCHEMBL9641840 0.80 ABCB11 (0.40) ABCB11MEN1KMT2AELANEMAPT

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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