SCHEMBL23826314

SCHEMBL23826314

C[C@H](Nc1cc(C(=O)O)cc(F)c1C(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ GPR119 Q8TDV5 7/20 0.38
▸ P2RY14 Q15391 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 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
SCHEMBL23826863 1.00 STS (0.40) STSUSP30TACR1GPR119P2RY14
SCHEMBL23827110 0.88 TOP2A (0.40) STSUSP30GPR119DPP4KMT2A
SCHEMBL23827113 0.88 TOP2A (0.40) STSUSP30GPR119DPP4KMT2A
SCHEMBL23826312 0.88 STS (0.37) STSUSP30TACR1GPR119P2RY14
SCHEMBL23826310 0.88 STS (0.37) STSUSP30TACR1GPR119P2RY14
SCHEMBL23826716 0.87 GPR119 (0.46) STSGPR119P2RY14DPP4KMT2A
SCHEMBL31336630 0.87 GPR119 (0.46) STSGPR119P2RY14DPP4KMT2A
SCHEMBL23826712 0.87 GPR119 (0.46) STSGPR119P2RY14DPP4KMT2A
SCHEMBL29365420 0.83 DPP4 (0.41) STSUSP30TACR1GPR119HDAC6
SCHEMBL23825793 0.81 TOP2A (0.45) STSUSP30GPR119KMT2A

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
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 — — EP disclosed
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