SCHEMBL11683079

SCHEMBL11683079

COc1ccc(CONS(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
HTT P42858 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 3/20 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
Methane SCHEMBL7667881 0.88 CA1 (0.57) APLNRIDO1AGXTHTTCA1
SCHEMBL13045371 0.80 KMT2A (0.45) IDO1AGXTCA1CA2CA12
SCHEMBL7670765 0.79 NPC1 (0.51) CA1CA2CA12CA9CA14
SCHEMBL18770202 0.79 BMP1 (0.46) APLNRHTTNPC1RAB9ASMN1; SMN2
SCHEMBL10796915 0.78 ALDH1A1 (0.65) HTTCA1CA2SMN1; SMN2ALDH1A1
SCHEMBL18770203 0.77 KMT2A (0.47) SMN1; SMN2ALDH1A1MAPTCYP19A1KMT2A
SCHEMBL7047450 0.77 IDO1 (0.59) IDO1AGXTHTTCA1CA2
SCHEMBL4873875 0.76 ALDH1A1 (0.64) HTTCA1CA2NPC1RAB9A
SCHEMBL5937187 0.76 APLNR (0.59) APLNRIDO1AGXTHTTCA1
SCHEMBL28733742 0.75 IDO1 (0.57) IDO1AGXTHTTCA1CA2

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
US-4017512-A Process for producing N-alkylhydroxylamines SAGAMI CHEMICAL RESEARCH CENTER (JA) 1977-04-12 US disclosed