SCHEMBL8797782

SCHEMBL8797782

COC(OC)C1(C)C=C(c2cccnc2)c2cc(C#N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.40
CYP11B1 P15538 5/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 2/20 0.37
SOAT2 O75908 3/20 0.37
SOAT1 P35610 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
FLT3 P36888 1/20 0.35
STK10 O94804 2/20 0.35
SLK Q9H2G2 2/20 0.35
SCN9A Q15858 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
ABCC9 O60706 1/20 0.34
NPY5R Q15761 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8798410 0.87 LRRK2 (0.34) CYP11B2CYP11B1CYP19A1FLT3ABCC9
SCHEMBL8196440 0.84 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL9086171 0.82 KCNH2 (0.42) CYP11B2CYP11B1CYP17A1CYP19A1BACE1
SCHEMBL8797518 0.80 METAP2 (0.35) SQORKCNH2
SCHEMBL8796991 0.80 POLB (0.40) CYP11B2CYP11B1SCN9ANPY5RKCNH2
SCHEMBL8311321 0.80 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL9478589 0.73 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1SOAT2
SCHEMBL8196362 0.72 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL8797308 0.70 FFAR1 (0.35) ABCC9KCNH2
SCHEMBL9088354 0.69 ABCC9 (0.38) CYP11B2CYP11B1CYP19A1FLT3ABCC9

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