SCHEMBL7978652

SCHEMBL7978652

Cc1cc(C#N)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.43
CYP11B1 P15538 5/20 0.43
CYP19A1 P11511 2/20 0.43
VCP P55072 1/20 0.38
AR P10275 1/20 0.38
CYP17A1 P05093 1/20 0.37
PTAFR P25105 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
GRM2 Q14416 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
SQOR Q9Y6N5 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL7978653 1.00 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1VCPAR
SCHEMBL7966319 0.88 CYP11B1 (0.40) CYP11B2CYP11B1CYP19A1ARCYP17A1
SCHEMBL7966320 0.88 CYP11B1 (0.40) CYP11B2CYP11B1CYP19A1ARCYP17A1
SCHEMBL7976689 0.87 CYP19A1 (0.41) CYP11B2CYP11B1CYP19A1PTAFR
SCHEMBL8019943 0.87 CYP19A1 (0.41) CYP11B2CYP11B1CYP19A1PTAFR
SCHEMBL7976694 0.87 CYP19A1 (0.41) CYP11B2CYP11B1CYP19A1PTAFR
SCHEMBL7980127 0.86 MMP12 (0.47) CYP11B2CYP11B1CYP19A1VCPCYP17A1
SCHEMBL7980395 0.86 MMP12 (0.47) CYP11B2CYP11B1CYP19A1VCPCYP17A1
SCHEMBL7966621 0.86 MMP12 (0.47) CYP11B2CYP11B1CYP19A1VCPCYP17A1
SCHEMBL7966623 0.86 MMP12 (0.47) CYP11B2CYP11B1CYP19A1VCPCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed