SCHEMBL23631983

SCHEMBL23631983

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2)CC[C@H]1COC(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
TEAD1 P28347 1/20 0.39
LIPE Q05469 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
LIPG Q9Y5X9 3/20 0.38
GHSR Q92847 1/20 0.37
ACACB O00763 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
EPHX2 P34913 2/20 0.36
LIPC P11150 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TACR1 P25103 3/20 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
SCHEMBL30075144 1.00 GPR119 (0.40) GPR119TEAD1LIPEMMP2MMP13
SCHEMBL23632536 0.91 MCL1 (0.39) GPR119LIPEGHSRNR1H2NR1H3
SCHEMBL23632234 0.91 MCL1 (0.39) GPR119LIPEGHSRNR1H2NR1H3
SCHEMBL30842554 0.88 GPR119 (0.41) GPR119TEAD1LIPEMMP2MMP13
SCHEMBL23631924 0.87 TEAD1 (0.42) GPR119TEAD1LIPEMMP2MMP13
SCHEMBL28586792 0.87 TEAD1 (0.42) TEAD1LIPEMMP2MMP13LIPG
SCHEMBL31599294 0.85 TACR1 (0.42) GPR119NR1H2NR1H3TACR1
SCHEMBL30075118 0.85 TACR1 (0.42) GPR119NR1H2NR1H3TACR1
SCHEMBL28537462 0.85 TACR1 (0.42) GPR119NR1H2NR1H3TACR1
SCHEMBL23632615 0.80 GPR119 (0.39) GPR119TEAD1LIPELIPGGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed