SCHEMBL28534685

SCHEMBL28534685

CC(C)(C)OC(=O)N1CC(c2ccc(C(F)(F)F)cc2)CC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.45
RORC P51449 5/20 0.45
TACR1 P25103 9/20 0.43
MAPT P10636 1/20 0.41
HTRA1 Q92743 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NOTUM Q6P988 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
SCHEMBL6183705 0.89 HTRA1 (0.48) P2RY14RORCTACR1MAPTHTRA1
SCHEMBL24645690 0.89 HTRA1 (0.48) P2RY14RORCTACR1MAPTHTRA1
SCHEMBL28529255 0.89 HTRA1 (0.48) P2RY14RORCTACR1MAPTHTRA1
SCHEMBL28531832 0.88 CYP3A4 (0.42) P2RY14RORCTACR1MAPTNR1H2
SCHEMBL14343629 0.86 HTRA1 (0.51) RORCTACR1HTRA1NR1H2NR1H3
SCHEMBL31599304 0.82 TACR1 (0.48) P2RY14RORCTACR1MAPTNR1H2
SCHEMBL28909376 0.82 TACR1 (0.48) P2RY14RORCTACR1MAPTNR1H2
SCHEMBL23632114 0.82 TACR1 (0.48) P2RY14RORCTACR1MAPTNR1H2
SCHEMBL6184744 0.80 HTRA1 (0.46) P2RY14RORCTACR1MAPTHTRA1
SCHEMBL29200085 0.80 NOTUM (0.44) P2RY14NOTUM

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