SCHEMBL7434935

SCHEMBL7434935

CC(=O)NCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
HAO1 Q9UJM8 1/20 0.56
PTPN1 P18031 1/20 0.55
GSK3B P49841 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
USP2 O75604 1/20 0.54
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
FFAR1 O14842 1/20 0.53
CYP1A2 P05177 1/20 0.53
HIF1A Q16665 1/20 0.53
AGTR1 P30556 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49

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
SCHEMBL1945591 0.89 MTNR1A (0.59) SMN1; SMN2MAPTHPGDERCC5FEN1
Methane SCHEMBL11374227 0.87 MTNR1A (0.57) SMN1; SMN2MAPTHPGDERCC5FEN1
SCHEMBL23014298 0.82 RAB9A (0.61) SMN1; SMN2MAPTL3MBTL1ERCC5FEN1
SCHEMBL20245219 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MAPTL3MBTL1HPGDERCC5
SCHEMBL24590462 0.80 MEN1 (0.63) SMN1; SMN2MAPTL3MBTL1HPGDERCC5
SCHEMBL800972 0.79 ERCC5 (0.67) SMN1; SMN2MAPTL3MBTL1HPGDERCC5
SCHEMBL7436867 0.79 HSD17B3 (0.52) MAPTL3MBTL1PTPN1ALDH1A1KDM4E
SCHEMBL7444387 0.79 RAB9A (0.55) SMN1; SMN2MAPTL3MBTL1GSK3BALDH1A1
SCHEMBL27182280 0.78 ERCC5 (0.77) SMN1; SMN2MAPTL3MBTL1HPGDERCC5
SCHEMBL7440297 0.78 KMT2A (0.54) SMN1; SMN2MAPTHPGDPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed