SCHEMBL8796818

SCHEMBL8796818

COC(OC)C1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 2/20 0.32
HTR6 P50406 1/20 0.32
NAMPT P43490 7/20 0.32
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGS2 P35354 1/20 0.30
ABCC9 O60706 1/20 0.30

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
SCHEMBL8797664 0.89 HTR6 (0.37) HTR6NAMPTPTGS2
SCHEMBL8796821 0.85 HTR6 (0.33) KDM4EUSP2GAAHPGDHSD17B10
SCHEMBL8798430 0.85 IMPDH2 (0.43) KDM4EHPGDF2HTR6ALDH1A1
SCHEMBL9088314 0.84 RARA (0.39) KDM4EUSP2GAAHPGDHSD17B10
SCHEMBL8797575 0.75 ABCB1 (0.34) HTR6NAMPT
SCHEMBL8799009 0.75 CYP11B1 (0.43) GAAHPGDNAMPTPIK3CAALDH1A1
SCHEMBL8797820 0.74 ABL1 (0.41) MAPT
SCHEMBL9198312 0.73 SMN1; SMN2 (0.34) HPGDHTR6ALDH1A1SMN1; SMN2
SCHEMBL9087771 0.73 HTR6 (0.42) HTR6NAMPTPTGS2
SCHEMBL9208134 0.72 HIF1A (0.43) HTR6ALDH1A1POLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed