SCHEMBL30955486

SCHEMBL30955486

COc1cc(CO[C@@H]2C[C@@H](C(=S)N(C)C)N(C(=O)OC(C)(C)C)C2)cc(OC)c1.COc1cc(CO[C@H]2CN[C@H](C(=S)N(C)C)C2)cc(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
ABCB1 P08183 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
P2RX3 P56373 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL30955424 0.91 UCHL1 (0.37) UCHL1ABCB1GPR119P2RX3ALDH1A1
SCHEMBL30955452 0.88 UCHL1 (0.39) UCHL1ABCB1GPR119P2RX3JAK2
SCHEMBL30955482 0.87 GPR119 (0.36) UCHL1ABCB1GPR119P2RX3JAK2
SCHEMBL30955440 0.86 CHRM3 (0.37) UCHL1ABCB1GPR119JAK2JAK1
SCHEMBL30955470 0.84 UCHL1 (0.33) UCHL1ABCB1GPR119
SCHEMBL30955431 0.84 SIRT2 (0.35) UCHL1ABCB1JAK2JAK1
Hydrochloric Acid SCHEMBL30955453 0.83 ABCB1 (0.34) UCHL1ABCB1JAK2JAK1
SCHEMBL30955411 0.82 UCHL1 (0.42) UCHL1ABCB1GPR119P2RX3JAK2
SCHEMBL30955426 0.82 MCL1 (0.36) UCHL1ABCB1GPR119
SCHEMBL30955428 0.82 TACR1 (0.31) ALDH1A1

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-4626548-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR Université de Strasbourg (FR) 2025-10-08 EP disclosed
WO-2024115667-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2024-06-06 WO disclosed