SCHEMBL9630478

SCHEMBL9630478

CCOC(=O)c1c(CC)[nH]ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.42
NUDT1 P36639 1/20 0.41
ADORA2B P29275 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL14351829 0.83 SMN1; SMN2 (0.49) KMT2ACA12CA1CA2CA7
SCHEMBL15782806 0.80 HSD17B10 (0.42) KMT2ACA12CA9PDE4DNPC1
SCHEMBL23498902 0.80 ALDH1A1 (0.47) KMT2ACA12CA1CA2CA7
SCHEMBL8268881 0.78 KMT2A (0.68) KMT2ACA12CA1CA2CA7
SCHEMBL16386608 0.73 ALDH1A1 (0.57) KMT2ACA12CA1CA2CA7
SCHEMBL25068659 0.71 KDM4E (0.47) KMT2ACA12CA1CA2CA7
SCHEMBL1316433 0.70 NOTUM (0.57) KMT2ACA12CA1CA2CA7
SCHEMBL2590961 0.70 KDM4E (0.46) KMT2ACA12CA1CA2CA7
SCHEMBL6955683 0.70 GABRA1 (0.37) KMT2AKDM4ECYP2C19LMNAGABRA1
Methane SCHEMBL27742710 0.69 SMN1; SMN2 (0.55) KMT2ACA12CA1CA2CA7

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
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed