SCHEMBL9643543

SCHEMBL9643543

COc1c(OC)c(OC(=O)C(C)C)c2cc(C)c(C)cc2c1OC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ ELANE P08246 2/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ AKR1B1 P15121 6/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL9641729 0.92 ABCB11 (0.37) ABCB11GAAELANETAS1R3TAS1R1
SCHEMBL9713795 0.86 GAA (0.39) ABCB11GAAELANETAS1R3TAS1R1
SCHEMBL9642598 0.86 GAA (0.37) ABCB11GAATAS1R3TAS1R1MEN1
SCHEMBL9641747 0.84 AKR1B1 (0.45) GAAELANEALOX15AKR1B1ALDH1A1
SCHEMBL9642066 0.83 ABCB11 (0.48) ABCB11ELANEKMT2AALOX15ALDH1A1
SCHEMBL9656267 0.81 ABCB11 (0.44) ABCB11TAS1R3TAS1R1MEN1KMT2A
SCHEMBL20398634 0.81 GAA (0.45) GAAELANEMEN1KMT2AALOX15
SCHEMBL9643999 0.80 KDM4E (0.50) ABCB11ELANEKLKB1ALDH1A1L3MBTL1
SCHEMBL9641857 0.79 ABCB11 (0.62) ABCB11GAAALOX15AKR1B1ALDH1A1
SCHEMBL9642160 0.79 ABCB11 (0.70) ABCB11GAAELANEMEN1KMT2A

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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