SCHEMBL30960950

SCHEMBL30960950

C[C@@H]1CC(=C(F)F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.37
MAP4K4 O95819 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL26537645 0.84 SETD7 (0.38) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL6745485 0.84 SETD7 (0.38) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL24267329 0.84 SETD7 (0.38) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL1197535 0.81 SETD7 (0.40) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL432224 0.81 SETD7 (0.40) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL1197830 0.81 SETD7 (0.40) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
Ethylene SCHEMBL5865026 0.78 SETD7 (0.39) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL29924611 0.78 SETD7 (0.37) SETD7MAP4K4USP2SMN1; SMN2HSD17B10
SCHEMBL31708282 0.78 ALDH1A1 (0.36) USP2SMN1; SMN2HSD17B10NR1H2GPR119
SCHEMBL24815806 0.77 USP2 (0.51) USP2SMN1; SMN2NR1H2GPR119HPGD

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
EP-4635958-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2025-10-22 EP disclosed
WO-2024125642-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-06-20 WO disclosed