SCHEMBL21765870

SCHEMBL21765870

CCC(=O)N(C)c1ccccc1N(C)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.49
FSCN1 Q16658 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL21765852 0.92 ALDH1A1 (0.43) TSPOALDH1A1MAPTGAATSHR
SCHEMBL4781144 0.81 CYP3A4 (0.46) ALDH1A1MAPTTSHRTP53LMNA
SCHEMBL21765851 0.80 ALDH1A1 (0.35) TSPOALDH1A1MAPTGAATSHR
SCHEMBL15224071 0.79 TSPO (0.55) TSPOFSCN1ALDH1A1MAPTGAA
SCHEMBL13684202 0.79 ALDH1A1 (0.47) TSPOALDH1A1MAPTGAATSHR
SCHEMBL13041531 0.78 POLB (0.51) ALDH1A1MAPTGAATSHRTP53
SCHEMBL6529361 0.77 ESR1 (0.46) TSPOALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13007694 0.77 SIGMAR1 (0.61) ALDH1A1TSHRLMNAKDM4E
SCHEMBL8720338 0.77 TACR1 (0.57) ALDH1A1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL5536970 0.75 TSPO (0.55) TSPOFSCN1ALDH1A1MAPTGAA

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