SCHEMBL19360326

SCHEMBL19360326

CC(C)n1c(Cc2ccc(C(F)(F)F)cc2F)cc2cc(C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.49
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGER4 P35408 1/20 0.37
GLP1R P43220 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGER1 P34995 1/20 0.36
SLC6A4 P31645 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL19360322 0.89 RORC (0.49) RORC
SCHEMBL19360549 0.89 RORC (0.49) RORCEPHX2NR1H4PPARGPPARA
SCHEMBL19360379 0.85 RORC (0.65) RORCPTGER4
SCHEMBL19360594 0.84 RORC (0.42) RORCEPHX2NR1H4PTGER4GLP1R
SCHEMBL19360306 0.83 RORC (0.65) RORCEPHX2PPARG
SCHEMBL19360317 0.82 RORC (0.65) RORCPTGER4
SCHEMBL19360368 0.82 RORC (0.63) RORCEPHX2PPARG
SCHEMBL19360574 0.80 RORC (0.65) RORCPPARG
SCHEMBL19360540 0.80 RORC (0.45) RORCEPHX2NR1H4PTGER4GLP1R
SCHEMBL19360320 0.79 RORC (0.82) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed