SCHEMBL8069877

SCHEMBL8069877

CC(C)[C@H](N[C@H](C)c1nc2ccccc2s1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.49
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
Hydrochloric Acid SCHEMBL8069845 0.82 PPARA (0.46) ALOX5LOXL2SMN1; SMN2HSD17B10LMNA
SCHEMBL11587666 0.79 ALOX5 (0.65) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL8069879 0.76 ALOX5 (0.52) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL10480454 0.75 LOXL2 (0.57) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL11697365 0.74 HPGD (0.60) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL11165753 0.73 ALOX5 (0.62) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL8060795 0.73 TSHR (0.46) ALOX5TSHRALOX15CASP1RAB9A
SCHEMBL8060776 0.73 TSHR (0.46) ALOX5TSHRALOX15CASP1RAB9A
SCHEMBL5308335 0.73 ALOX5 (0.57) ALOX5LOXL2TSHRALOX15CASP1
SCHEMBL29500244 0.73 ALOX5 (0.57) ALOX5LOXL2TSHRALOX15CASP1

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-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed