SCHEMBL9871173

SCHEMBL9871173

COc1cc2c(cc1S(=O)(=O)c1ccccc1)[C@H](n1ccccc1=O)[C@@H](O)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 12/20 0.42
▸ HTR6 P50406 1/20 0.37
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL9871184 1.00 ABCC9 (0.42) ABCC9HTR6TP53RXFP1FEN1
SCHEMBL9871178 1.00 ABCC9 (0.42) ABCC9HTR6TP53RXFP1FEN1
SCHEMBL9870395 0.84 ABCC9 (0.46) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9870400 0.84 ABCC9 (0.46) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9870410 0.84 ABCC9 (0.46) ABCC9HTR6ABCC8KCNJ11KCNJ8
SCHEMBL9293694 0.83 ABCC9 (0.50) ABCC9HTR6TP53RXFP1ABCC8
SCHEMBL9293698 0.83 ABCC9 (0.50) ABCC9HTR6TP53RXFP1ABCC8
SCHEMBL9293691 0.83 ABCC9 (0.50) ABCC9HTR6TP53RXFP1ABCC8
SCHEMBL9293382 0.83 ABCC9 (0.52) ABCC9HTR6TP53RXFP1FEN1
SCHEMBL9294111 0.83 ABCC9 (0.52) ABCC9HTR6TP53RXFP1FEN1

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
Send feedback