SCHEMBL8178447

SCHEMBL8178447

CC(c1ccccc1)C(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
LMNA P02545 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
BCAT2 O15382 1/20 0.43
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.41
AOC3 Q16853 1/20 0.41

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
Acetic Acid SCHEMBL8192834 0.96 ALOX5 (0.46) ALOX5LMNAADRA2AADRA2CHIF1A
Sulfamate SCHEMBL8190962 0.91 LMNA (0.44) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL180160 0.83 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7525226 0.83 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL10024370 0.83 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL14960669 0.81 HPGD (0.47) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL341787 0.81 ALOX5 (0.50) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL7475015 0.81 ALOX5 (0.55) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL28260719 0.81 ALOX5 (0.55) ALOX5LMNAADRA2AADRA2CHIF1A
SCHEMBL5221261 0.79 DPP4 (0.50) ALOX5LMNAADRA2AADRA2CHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801642-B1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LTD (KR) 2000-12-20 EP disclosed
US-5892088-A Sulfamate compound containing N-substituted carbamoyl group and method for preparing the same YUKONG LIMITED (KR) 1999-04-06 US disclosed
EP-0801642-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-10-22 EP disclosed
WO-1997016418-A1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1997-05-09 WO disclosed