SCHEMBL19360540

SCHEMBL19360540

O=C(O)c1ccc2c(c1)cc(Cc1ccc(C(F)(F)F)cc1F)n2C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.40
GLP1R P43220 1/20 0.40
IDH1 O75874 2/20 0.39
PPARD Q03181 4/20 0.38
PTGER4 P35408 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.36
PTPN1 P18031 1/20 0.36
GALK1 P51570 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
SCHEMBL19360539 0.88 RORC (0.46) RORCPPARGPPARAIDH1PPARD
SCHEMBL18440466 0.85 IDH1 (0.49) RORCIDH1L3MBTL1PTPN1
SCHEMBL19360581 0.84 RORC (0.53) RORCIDH1EPHX2L3MBTL1SLC6A4
SCHEMBL19360436 0.82 RORC (0.51) RORCPPARGIDH1EPHX2ALDH1A1
SCHEMBL19360594 0.81 RORC (0.42) RORCPPARGPPARAGLP1RPTGER4
SCHEMBL19360314 0.81 RORC (0.65) RORCPPARGPPARAPPARD
SCHEMBL19360326 0.80 RORC (0.49) RORCPPARGPPARAGLP1RPTGER4
SCHEMBL19360396 0.79 RORC (0.75) RORC
SCHEMBL28197169 0.74 IDH1 (0.51) RORCIDH1
SCHEMBL18440696 0.74 RORC (0.46) RORCIDH1ALDH1A1KDM4E

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 3 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
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
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