SCHEMBL28197849

SCHEMBL28197849

CCS(=O)(=O)c1ccc(Cc2ccc3cc(Cc4ccc(F)cc4C(F)(F)F)[nH]c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.44
EPHX2 P34913 3/20 0.36
PPARG P37231 3/20 0.36
NR3C1 P04150 3/20 0.35
PGR P06401 3/20 0.35
NR3C2 P08235 3/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
DHFR P00374 1/20 0.33
IDO1 P14902 1/20 0.33
BRD4 O60885 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
SCHEMBL7495753 0.73 AHR (0.49) NR3C1PGRNR3C2DHFRIDO1
SCHEMBL6993553 0.72 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL6990951 0.67 DAO (0.49) NR3C1PGRNR3C2IDO1
SCHEMBL30076020 0.66 KDM4E (0.43) EPHX2PPARGNR3C1PGRNR3C2
SCHEMBL19360302 0.66 KDM4E (0.43) EPHX2PPARGNR3C1PGRNR3C2
SCHEMBL6993972 0.65 DAO (0.44) NR3C1PGRNR3C2IDO1
SCHEMBL12560322 0.64 PTGDR2 (0.45) RORC
SCHEMBL8417818 0.64 IDO1 (0.59) EPHX2PPARGIDO1
SCHEMBL6994150 0.62 DAO (0.44) NR3C1PGRNR3C2PTGS1PTGS2
SCHEMBL14378240 0.62 IDO1 (0.50) EPHX2PPARGIDO1

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
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 CN disclosed