SCHEMBL31293776

SCHEMBL31293776

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.55
OPRM1 P35372 4/20 0.55
OPRK1 P41145 2/20 0.55
MMP1 P03956 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
TSHR P16473 1/20 0.53
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
ITGA4 P13612 1/20 0.52
ITGB7 P26010 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MDM4 O15151 1/20 0.50
MDM2 Q00987 1/20 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
SCHEMBL30197545 0.89 MMP1 (0.53) OPRK1MMP1MMP3MMP9CTSS
SCHEMBL11597665 0.88 TSHR (0.67) OPRD1OPRM1OPRK1TSHRMDM4
SCHEMBL11359300 0.88 TSHR (0.67) OPRD1OPRM1OPRK1TSHRMDM4
SCHEMBL10394119 0.88 TSHR (0.67) OPRD1OPRM1OPRK1TSHRMDM4
SCHEMBL29484050 0.87 MMP1 (0.55) OPRK1MMP1MMP3MMP9CTSS
Bromide SCHEMBL11599446 0.87 TSHR (0.65) OPRD1OPRM1OPRK1TSHRMDM4
Bromide SCHEMBL11599445 0.87 TSHR (0.65) OPRD1OPRM1OPRK1TSHRMDM4
Hydrochloric Acid SCHEMBL11581436 0.87 TSHR (0.65) OPRD1OPRM1OPRK1TSHRMDM4
Hydrochloric Acid SCHEMBL11581442 0.87 TSHR (0.65) OPRD1OPRM1OPRK1TSHRMDM4
SCHEMBL27541193 0.86 IL1RN (0.51) MMP1TSHRCTSSCTSKPOLB

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-4685150-A1 METHOD FOR PRODUCING AMIDE GROUP-CONTAINING COMPOUND USING N-CARBOXYAMINO ACID ANHYDRIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-01-28 EP disclosed
WO-2024225377-A1 METHOD FOR PRODUCING AMIDE GROUP-CONTAINING COMPOUND USING N-CARBOXYAMINO ACID ANHYDRIDE 中外製薬株式会社 2024-10-31 WO disclosed