SCHEMBL9643942

SCHEMBL9643942

COc1c(OC)c(OC(=O)C(C)(C)C)c2ccccc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PRKCA P17252 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ KCNA2 P16389 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ KCNA1 Q09470 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL9642833 0.85 KDM4E (0.50) ALDH1A1HPGD
SCHEMBL9641753 0.84 KDM4E (0.48) ALDH1A1HPGD
SCHEMBL9641737 0.80 ABCB11 (0.53) ALDH1A1TSHRHSD17B10PDE4D
SCHEMBL9641865 0.79 KDM4E (0.43) ALDH1A1HSD17B10PDE4D
SCHEMBL10707074 0.77 KDM4E (0.44) ALDH1A1HSD17B10
SCHEMBL9642036 0.77 ELANE (0.42) —
SCHEMBL1591366 0.76 KCNA3 (0.55) KCNA3USP2ALDH1A1TSHRHSD17B10
SCHEMBL9654656 0.76 ALDH1A1 (0.50) KCNA3USP2ALDH1A1TSHRHSD17B10
SCHEMBL9642698 0.74 ABCB11 (0.50) KCNA3USP2ALDH1A1TSHRHSD17B10
SCHEMBL9643284 0.74 ABCB11 (0.50) KCNA3USP2ALDH1A1TSHRHSD17B10

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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