SCHEMBL25754023

SCHEMBL25754023

CCCCCCCC(C)(CCCCCC)NC(=O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 2/20 0.37
HSPA9 P38646 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADORA2A P29274 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 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
SCHEMBL25753489 0.76 ALDH1A1 (0.55) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL10244836 0.74 HDAC3 (0.51) PLA2G4ACASP3SENP8SENP7SENP6
SCHEMBL1668014 0.72 PLA2G4A (0.66) PLA2G4AALDH1A1CES1
SCHEMBL18387845 0.72 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1HDAC3HDAC1SMN1; SMN2
SCHEMBL20920546 0.71 L3MBTL1 (0.43) ALDH1A1L3MBTL1CYP2C9ADORA2ASMN1; SMN2
SCHEMBL25767453 0.71 HDAC1 (0.45) HDAC3HDAC1
SCHEMBL19184876 0.71 HDAC1 (0.45) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL20393165 0.70 L3MBTL1 (0.42) ALDH1A1L3MBTL1CYP2C9ADORA2ASMN1; SMN2
SCHEMBL22303891 0.70 RPS6KA3 (0.38) L3MBTL1HDAC3HDAC1
SCHEMBL19174392 0.70 L3MBTL1 (0.43) ALDH1A1L3MBTL1CYP2C9ADORA2ASMN1; SMN2

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
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed