SCHEMBL28537130

SCHEMBL28537130

CC(C)(C)OC(=O)N1C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
P2RY14 Q15391 1/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2R P25116 2/20 0.39
CETP P11597 1/20 0.39
HSD11B1 P28845 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL28537575 1.00 TACR1 (0.44) TACR1P2RY14RORCMAPTKDM4E
SCHEMBL28535370 0.89 P2RY14 (0.42) TACR1P2RY14RORCMAPTKDM4E
SCHEMBL28535368 0.89 P2RY14 (0.42) TACR1P2RY14RORCMAPTKDM4E
SCHEMBL20005947 0.85 HTRA1 (0.50) TACR1RORCKDM4ENR1H2NR1H3
SCHEMBL28539977 0.84 TACR1 (0.43) TACR1P2RY14RORCMAPTKDM4E
SCHEMBL28536977 0.84 TACR1 (0.43) TACR1P2RY14RORCMAPTKDM4E
SCHEMBL29200058 0.83 TACR1 (0.48) TACR1P2RY14RORCMAPTCETP
SCHEMBL21619693 0.83 TACR1 (0.48) TACR1P2RY14RORCMAPTCETP
SCHEMBL28534495 0.83 TACR1 (0.48) TACR1P2RY14RORCMAPTCETP
SCHEMBL28532289 0.83 CETP (0.48) TACR1P2RY14RORCMAPTCETP

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-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed