SCHEMBL28896357

SCHEMBL28896357

CC(C)(C)OC(=O)N1CCC(OCC=O)(C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RORC P51449 6/20 0.36
TACR1 P25103 1/20 0.35
CYP11B2 P19099 1/20 0.35
ACACB O00763 2/20 0.35
USP30 Q70CQ3 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SCD5 Q86SK9 1/20 0.34
HDAC2 Q92769 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
NR1H2 P55055 1/20 0.33

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
SCHEMBL28896390 0.89 USP2 (0.37) USP2SMN1; SMN2RORCDDB1CRBN
SCHEMBL28896608 0.88 RORC (0.36) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL31752520 0.86 USP2 (0.39) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL24113337 0.85 USP2 (0.41) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL29581801 0.85 USP2 (0.41) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL24012213 0.85 USP2 (0.41) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL28896661 0.84 CYP4F2 (0.38) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL29211272 0.82 RORC (0.37) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL31750904 0.81 USP2 (0.39) USP2SMN1; SMN2RORCTACR1CYP11B2
SCHEMBL28896586 0.80 USP2 (0.40) USP2SMN1; SMN2CYP11B2ACACBUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed