SCHEMBL20144535

SCHEMBL20144535

CC(C)CC(=O)NCCNC(=O)C(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
PSMB5 P28074 1/20 0.33
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL21696331 0.81 RAB9A (0.38) SMN1; SMN2HPGDHSD17B10GAAL3MBTL1
SCHEMBL23840980 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18908668 0.76 SMN1; SMN2 (0.59) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20144537 0.76 TP53 (0.33) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20144622 0.75 KDM4C (0.48) ALDH1A1KMT2AHTTGAAKDM4E
SCHEMBL20144567 0.74 ALDH1A1 (0.30) HPGDALDH1A1KMT2A
SCHEMBL20144634 0.74 GGT1 (0.33) HPGDALDH1A1HSD17B10
SCHEMBL18461405 0.74 RIPK1 (0.32)
SCHEMBL21696330 0.73 EPHX1 (0.46) HTT
SCHEMBL22484141 0.72 SMN1; SMN2 (0.47) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed