SCHEMBL23718564

SCHEMBL23718564

CC(C)C(=O)C1(COCNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)CC(C(C)(C)C)C2=O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.40
OPRK1 P41145 2/20 0.39
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
AKT1 P31749 1/20 0.34
FOLH1 Q04609 1/20 0.34
PSMB1 P20618 2/20 0.34
PSMB5 P28074 2/20 0.34
PSMB2 P49721 2/20 0.34
HRH1 P35367 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL23680209 0.97 OPRL1 (0.38) OPRL1OPRK1AKT1OPRD1
SCHEMBL23718792 0.97 OPRL1 (0.38) OPRL1OPRK1AKT1OPRD1
SCHEMBL24037983 0.93 OPRL1 (0.39) OPRL1OPRK1AKT1FOLH1OPRD1
SCHEMBL23718711 0.91 OPRL1 (0.39) OPRL1OPRK1MMP1MMP2MMP3
SCHEMBL24037651 0.90 OPRL1 (0.37) OPRL1OPRK1AKT1PSMB1PSMB5
SCHEMBL24342133 0.88 OPRL1 (0.38) OPRL1OPRK1MMP1MMP2MMP3
SCHEMBL24037971 0.86 OPRL1 (0.40) OPRL1OPRK1AKT1FOLH1HDAC3
SCHEMBL24038011 0.85 OPRL1 (0.39) OPRL1OPRK1AKT1FOLH1OPRD1
SCHEMBL26067120 0.85 OPRL1 (0.41) OPRL1OPRK1AKT1OPRD1
SCHEMBL24037979 0.85 OPRL1 (0.39) OPRL1OPRK1AKT1HDAC3HDAC4

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-4129345-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-3858386-A1 LIGAND-DRUG CONJUGATE OF EXATECAN ANALOGUE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-08-04 EP disclosed