SCHEMBL28036700

SCHEMBL28036700

CCc1ccc2c(c(O)c(C(=O)O)c(=O)n2CC)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 6/20 0.40
HTT P42858 3/20 0.38
GSK3B P49841 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SRC P12931 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16102938 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL27815596 0.86 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4EGSK3B
SCHEMBL30884503 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL15936261 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL28676384 0.75 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL28678807 0.74 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL28677828 0.74 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL23497665 0.72 MEN1 (0.52) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL28515304 0.71 GSK3B (0.62) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL7435419 0.70 KDM4E (0.72) ALDH1A1MEN1KMT2AKDM4EHTT

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
CN-105051013-A Laquinimod sodium crystals and improved process for their manufacture TEVA PHARMA 2015-11-11 CN disclosed