SCHEMBL9200591

SCHEMBL9200591

COC(OC)C1(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2C2OC21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.39
HTR6 P50406 10/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3442031 0.82 ABCC9 (0.48) ABCC9HTR6ALDH1A1POLBMAPT
SCHEMBL482008 0.82 ABCC9 (0.48) ABCC9HTR6ALDH1A1POLBMAPT
SCHEMBL4849803 0.78 KCNE1 (0.33) ALDH1A1POLBMAPTKDM4EUSP2
SCHEMBL2471965 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7684277 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL2472077 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6985601 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL2473015 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL2475336 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL6985781 0.78 AKR1B1 (0.37) ALDH1A1MAPTSMN1; SMN2GAA

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