SCHEMBL9206985

SCHEMBL9206985

COC(OC)C1(C)CC(O)c2cc(S(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.42
HTR6 P50406 6/20 0.36
KCNA5 P22460 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
TSHR P16473 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
SCHEMBL12748474 0.78 HTT (0.36) GAAALDH1A1PKMKCNE1KCNQ1
SCHEMBL12748471 0.78 HTT (0.36) GAAALDH1A1PKMKCNE1KCNQ1
SCHEMBL12748473 0.78 HTT (0.36) GAAALDH1A1PKMKCNE1KCNQ1
SCHEMBL9201086 0.77 TLR3 (0.47) ABCC9GAAALDH1A1PKMMAPT
SCHEMBL9200591 0.76 ABCC9 (0.39) ABCC9HTR6KDM4EGAAHPGD
SCHEMBL9206721 0.74 KDM4E (0.44) ABCC9KDM4EKCNE1KCNQ1
SCHEMBL9207155 0.72 CTSD (0.39) KCNE1KCNQ1
SCHEMBL9205841 0.71 ABCC9 (0.54) ABCC9HTR6KCNA5KCNE1KCNQ1
SCHEMBL9869923 0.71 ABCC9 (0.52) ABCC9HTR6KCNA5ALDH1A1MAPT
SCHEMBL9200860 0.71 ABCC9 (0.54) ABCC9HTR6KCNA5KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed