SCHEMBL30955424

SCHEMBL30955424

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
ABCB1 P08183 1/20 0.36
P2RX3 P56373 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MCL1 Q07820 8/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL30955452 0.96 UCHL1 (0.39) UCHL1GPR119ABCB1P2RX3JAK2
SCHEMBL30955486 0.91 UCHL1 (0.33) UCHL1GPR119ABCB1P2RX3JAK2
SCHEMBL30955411 0.90 UCHL1 (0.42) UCHL1GPR119ABCB1P2RX3JAK2
SCHEMBL30955478 0.85 GPR119 (0.41) UCHL1GPR119ABCB1P2RX3JAK2
SCHEMBL30955420 0.83 CHRM3 (0.42) UCHL1GPR119ABCB1JAK2JAK1
SCHEMBL30955521 0.82 MRGPRX4 (0.40) UCHL1ABCB1JAK2JAK1MCL1
SCHEMBL30955421 0.81 ABCB1 (0.41) UCHL1ABCB1JAK2JAK1MCL1
SCHEMBL30955474 0.81 SIRT2 (0.39) UCHL1ABCB1JAK2JAK1MCL1
SCHEMBL30955446 0.81 ABCB1 (0.38) UCHL1GPR119ABCB1JAK2JAK1
SCHEMBL30955458 0.81 UCHL1 (0.37) UCHL1GPR119ABCB1P2RX3JAK2

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