SCHEMBL23680331

SCHEMBL23680331

CNC1CC(=O)N(CCCCCC(=O)NCC(=O)NCC(=O)NC(C)Cc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.42
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
GAA P10253 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
FOLH1 Q04609 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL23515744 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL23680214 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL24183747 0.86 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL25564745 0.83 OPRL1 (0.38) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL25506243 0.83 OPRL1 (0.40) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL24982400 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL23680359 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL23680159 0.81 OPRL1 (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL25000297 0.81 OPRL1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL26030700 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1

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-3854816-A1 ANTI-B7H3 ANTIBODY-EXATECAN ANALOG CONJUGATE AND MEDICINAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-07-28 EP disclosed