SCHEMBL24823232

SCHEMBL24823232

CC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.41
OPRD1 P41143 5/20 0.41
OPRM1 P35372 3/20 0.39
OPRK1 P41145 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL27268237 1.00 OPRL1 (0.43) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL23515709 0.93 FOLH1 (0.43) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL26030700 0.93 ALDH1A1 (0.43) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL22969978 0.93 ALDH1A1 (0.42) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL24822650 0.93 ALDH1A1 (0.42) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL27390781 0.93 OPRL1 (0.43) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL22969979 0.92 OPRL1 (0.40) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL27268254 0.90 OPRL1 (0.43) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL23680160 0.89 OPRL1 (0.42) OPRL1ALDH1A1SMN1; SMN2FOLH1OPRD1
SCHEMBL23179887 0.87 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
WO-2022268202-A1 LIGAND-DRUG CONJUGATE AND USE THEREOF 同宜医药(苏州)有限公司 2022-12-29 WO disclosed