SCHEMBL23600182

SCHEMBL23600182

CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
TACR1 P25103 1/20 0.43
EPHX2 P34913 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
STS P08842 1/20 0.41
TGFBR1 P36897 1/20 0.40
SCN9A Q15858 1/20 0.40
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
TRPA1 O75762 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL23526899 1.00 USP30 (0.44) USP30TACR1EPHX2GPR119STS
SCHEMBL23526875 0.92 TACR1 (0.43) USP30TACR1EPHX2GPR119STS
SCHEMBL30900988 0.92 TACR1 (0.43) USP30TACR1EPHX2GPR119STS
SCHEMBL23527274 0.90 USP30 (0.46) USP30TACR1EPHX2GPR119STS
SCHEMBL23527167 0.88 USP30 (0.46) USP30TACR1EPHX2GPR119STS
SCHEMBL23564392 0.88 USP30 (0.46) USP30TACR1EPHX2GPR119STS
SCHEMBL23527331 0.88 EPHX2 (0.46) EPHX2MGLLABHD6UBE2MDCUN1D1
SCHEMBL30900019 0.87 TACR1 (0.44) USP30TACR1EPHX2GPR119STS
SCHEMBL23526921 0.87 USP30 (0.46) USP30TACR1EPHX2GPR119STS
SCHEMBL23527180 0.87 USP30 (0.46) USP30TACR1EPHX2GPR119STS

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
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed