SCHEMBL9293433

SCHEMBL9293433

COc1ccc(S(=O)(=O)c2cc3c(cc2OC)OC(C)(C)[C@@H](O)[C@@H]3N2CCCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 7/20 0.52
▸ ABCC8 Q09428 2/20 0.52
▸ KCNJ11 Q14654 2/20 0.52
▸ KCNJ8 Q15842 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MMP13 P45452 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL9293427 1.00 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293430 1.00 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294108 0.93 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294115 0.93 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294106 0.93 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294613 0.92 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293842 0.92 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294621 0.92 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293849 0.92 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293846 0.92 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364878-A Antiasthmatics; urogenital disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 — — US disclosed
EP-0351720-B1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AG (DE) 1994-08-24 — — EP disclosed
EP-0560399-A1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicament against disorders of the urethra HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-15 — — EP disclosed
US-4999371-A Treating Cardiovascular Disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
EP-0351720-A2 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 — — EP disclosed
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