SCHEMBL21765874

SCHEMBL21765874

CCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.71
TP53 P04637 2/20 0.68
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 4/20 0.67
HPGD P15428 3/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 3/20 0.60
ALDH1A1 P00352 3/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MAPK1 P28482 1/20 0.56
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55

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
SCHEMBL22270637 0.89 PTPN1 (0.56) PTPN1TP53RAB9ASMN1; SMN2NPC1
SCHEMBL21765873 0.89 PTPN1 (0.88) PTPN1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL21765706 0.83 MAPK1 (0.68) PTPN1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL28688601 0.82 TP53 (0.68) TP53RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL19002582 0.82 TP53 (0.68) TP53RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8434001 0.82 SMN1; SMN2 (0.72) PTPN1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6389276 0.81 PTPN1 (0.76) PTPN1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8361578 0.81 PTPN1 (0.76) PTPN1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL19921034 0.81 PTPN1 (0.69) PTPN1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10294766 0.81 PTPN1 (0.69) PTPN1RAB9ASMN1; SMN2NPC1HPGD

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed