SCHEMBL15435112

SCHEMBL15435112

CCOc1ccc(-c2cccc(C(NS(=O)(=O)CC)C3CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
DUT P33316 2/20 0.41
MMP2 P08253 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP13 P45452 4/20 0.38
CYP11B2 P19099 1/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL15435113 0.86 F9 (0.41) DUTFFAR1MMP13CYP11B2
SCHEMBL28410297 0.73 CYP11B2 (0.55) FFAR1CYP11B2
SCHEMBL15435128 0.71 CYP11B2 (0.53) CYP11B2
SCHEMBL12001681 0.69 ACACB (0.82) ACACBMMP2MMP13MMP1MMP3
SCHEMBL745723 0.69 CYP11B2 (0.53) CYP11B2
SCHEMBL3746927 0.69 CYP11B2 (0.51) CYP11B2
SCHEMBL31261551 0.68 PTGS2 (0.64) RXRARXRBFFAR1
SCHEMBL3742114 0.68 CYP11B2 (0.49) CYP11B2
SCHEMBL20490376 0.66 HDAC4 (0.51) RXRARXRBFFAR1
SCHEMBL30385599 0.65 CYP11B2 (0.47) CYP11B2

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
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP disclosed