SCHEMBL9294111

SCHEMBL9294111

COc1cc2c(cc1S(=O)(=O)c1ccccc1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 8/20 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
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HTR6 P50406 2/20 0.35
▸ FKBP1A P62942 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL9293382 1.00 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293383 1.00 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293694 0.98 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293698 0.98 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293691 0.98 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294115 0.92 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293433 0.92 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293427 0.92 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9294108 0.92 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9293430 0.92 ABCC9 (0.52) 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 7 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
EP-0277612-B1 SUBSTITUTED 3,4-DIHYDRO-2H-BENZOPYRANES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 — — 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
EP-0277612-A2 Substituted 3,4-dihydro-2H-benzopyranes, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 — — EP disclosed
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