SCHEMBL23515744

SCHEMBL23515744

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
FOLH1 Q04609 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGER4 P35408 2/20 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
SCHEMBL23680331 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAHDAC6HDAC4
SCHEMBL23680214 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAHDAC6HDAC4
SCHEMBL24183747 0.86 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHDAC6HDAC4
SCHEMBL27268237 0.86 OPRL1 (0.43) SMN1; SMN2ALDH1A1HDAC6HDAC4HDAC1
SCHEMBL26030700 0.86 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HDAC6HDAC4HDAC1
SCHEMBL23515709 0.86 FOLH1 (0.43) SMN1; SMN2ALDH1A1FOLH1
SCHEMBL24823232 0.86 OPRL1 (0.43) SMN1; SMN2ALDH1A1HDAC6HDAC4HDAC1
SCHEMBL24822781 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAHDAC6HDAC4
SCHEMBL24822650 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HDAC6HDAC4HDAC1
SCHEMBL22969978 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HDAC6HDAC4HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022068914-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY-DRUG CONJUGATE, AND USE OF PHARMACEUTICAL COMPOSITION 江苏恒瑞医药股份有限公司 2022-04-07 WO disclosed
WO-2021147993-A1 ANTI-TROP-2 ANTIDODY-EXATECAN ANALOG CONJUGATE AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-07-29 WO disclosed
WO-2021121204-A1 ANTI-CEA ANTIBODY-EXATECAN ANALOG CONJUGATE AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-24 WO disclosed
WO-2021115426-A1 ANTI-CLAUDIN ANTIBODY-DRUG CONJUGATE AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed