SCHEMBL9643284

SCHEMBL9643284

COc1c(OC)c(OC(C)=O)c2cc(F)ccc2c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.50
▸ KCNA3 P22001 2/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL9642698 1.00 ABCB11 (0.50) ABCB11KCNA3PTPN1LMNAHPGD
SCHEMBL9642607 0.84 ABCB11 (0.67) ABCB11ALDH1A1HSD17B10
SCHEMBL9627496 0.78 CASP3 (0.48) ABCB11PTPN1HPGDMAOBALDH1A1
SCHEMBL29371684 0.77 KDM4E (0.53) ABCB11HPGDALDH1A1TSHRHSD17B10
SCHEMBL9643182 0.77 ABCB11 (0.54) ABCB11PTPN1LMNAHPGDMAOB
SCHEMBL9642593 0.77 ABCB11 (0.56) ABCB11KCNA3HSD17B10
SCHEMBL9643136 0.77 ABCB11 (0.56) ABCB11KCNA3HSD17B10
SCHEMBL9643346 0.76 SLC2A4 (0.43) ABCB11LMNA
SCHEMBL9641912 0.75 ABCB11 (0.51) ABCB11MAOBFFAR1
SCHEMBL9642811 0.74 ABCB11 (0.54) ABCB11KCNA3LMNAHPGDMAOB

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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