SCHEMBL9870400

SCHEMBL9870400

COc1ccccc1S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)C(O)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 16/20 0.46
▸ HTR6 P50406 1/20 0.39
▸ ABCC8 Q09428 3/20 0.35
▸ KCNJ11 Q14654 3/20 0.35
▸ KCNJ8 Q15842 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ABCB1 P08183 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL9870410 1.00 ABCC9 (0.46) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9870395 1.00 ABCC9 (0.46) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9869951 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9869960 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9869955 0.85 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9871184 0.84 ABCC9 (0.42) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9871178 0.84 ABCC9 (0.42) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9871173 0.84 ABCC9 (0.42) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9294312 0.83 ABCC9 (0.56) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9294297 0.83 ABCC9 (0.56) ABCC9HTR6ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 — — US disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 — — EP disclosed
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