SCHEMBL24084078

SCHEMBL24084078

CNCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ CTSB P07858 1/20 0.52
▸ MME P08473 1/20 0.52
▸ MMP1 P03956 4/20 0.52
▸ MMP2 P08253 4/20 0.52
▸ MMP8 P22894 4/20 0.52
▸ MMP3 P08254 3/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ FCER2 P06734 2/20 0.52
▸ MMP9 P14780 3/20 0.51
▸ MMP7 P09237 2/20 0.51
▸ REN P00797 2/20 0.50

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
SCHEMBL24235723 0.91 MMP8 (0.55) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL24235592 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL24235724 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL342805 0.89 REN (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL29727782 0.89 REN (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL342804 0.89 REN (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL3998091 0.89 MME (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL29568621 0.89 REN (0.52) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL722882 0.86 OPRD1 (0.51) OPRM1OPRD1OPRK1CTSBMME
SCHEMBL722883 0.86 OPRD1 (0.51) OPRM1OPRD1OPRK1CTSBMME

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-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 — — EP disclosed
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