SCHEMBL9067938

SCHEMBL9067938

COC(OC)C1(C)C=C(c2cccnc2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA5 P30532 2/20 0.39
CHRNA4 P43681 2/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TGM2 P21980 1/20 0.37
PTGS2 P35354 1/20 0.36
ALPL P05186 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8797120 0.88 CYP19A1 (0.36) CYP19A1CYP11B1CYP11B2RAB9ACCNE2
SCHEMBL9084957 0.84 RAB9A (0.46) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA5
SCHEMBL9086171 0.82 KCNH2 (0.42) CYP19A1CYP11B1CYP11B2RAB9ASMN1; SMN2
SCHEMBL8797782 0.81 CYP11B2 (0.40) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA5
SCHEMBL8797122 0.81 MAPT (0.38) CYP19A1RAB9AGSK3BKDM4EMAPT
SCHEMBL8796991 0.79 POLB (0.40) CYP11B1CYP11B2MAPT
SCHEMBL8798213 0.71 MAPT (0.36) CYP19A1RAB9AGSK3BKDM4EMAPT
SCHEMBL9087110 0.70 NPC1 (0.42) CYP19A1CYP11B1CYP11B2RAB9APDE4D
SCHEMBL6219958 0.70 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2RAB9AABCG2
SCHEMBL2653137 0.68 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA5

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