SCHEMBL23680214

SCHEMBL23680214

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HDAC6 Q9UBN7 6/20 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
HDAC3 O15379 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
FOLH1 Q04609 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGER4 P35408 1/20 0.37

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; SMN2LMNAHTR1ADRD2
SCHEMBL23680331 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHTR1ADRD2
SCHEMBL25764635 0.87 OPRL1 (0.42) ALDH1A1SMN1; SMN2HDAC6HDAC4HDAC1
SCHEMBL25881766 0.87 OPRL1 (0.42) ALDH1A1SMN1; SMN2HDAC6HDAC4HDAC1
SCHEMBL27268254 0.87 OPRL1 (0.43) ALDH1A1SMN1; SMN2HDAC6HDAC4HDAC1
SCHEMBL25748810 0.87 OPRL1 (0.41) ALDH1A1SMN1; SMN2HDAC6HDAC4HDAC1
SCHEMBL24183747 0.86 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAHTR1ADRD2
SCHEMBL25649781 0.83 OPRL1 (0.41) ALDH1A1SMN1; SMN2HDAC6HDAC4HDAC1
SCHEMBL24982400 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAHDAC6HDAC4
SCHEMBL23680359 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHTR1ADRD2

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-3981434-A1 ANTI-B7-H4 ANTIBODY-DRUG CONJUGATE AND MEDICINAL USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-13 EP disclosed
EP-3854816-A1 ANTI-B7H3 ANTIBODY-EXATECAN ANALOG CONJUGATE AND MEDICINAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-07-28 EP disclosed