SCHEMBL25564745

SCHEMBL25564745

CNC(=O)COCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(NC)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL25506243 0.94 OPRL1 (0.40) OPRL1ALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL23680159 0.89 OPRL1 (0.37) OPRL1ALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL25000297 0.87 OPRL1 (0.38) OPRL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL25753191 0.86 CCKAR (0.40) OPRL1OPRK1
SCHEMBL25871102 0.86 AKT1 (0.46) ALDH1A1SMN1; SMN2MMP1MMP3HDAC3
SCHEMBL22969979 0.85 OPRL1 (0.40) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL25969517 0.84 CCKAR (0.40) OPRL1OPRK1
SCHEMBL25649781 0.84 OPRL1 (0.41) OPRL1ALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL26030700 0.84 ALDH1A1 (0.43) OPRL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL24982910 0.84 OPRL1 (0.40) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1

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-4190812-A1 ANTI-CD79B ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-07 EP disclosed