SCHEMBL4582019

SCHEMBL4582019

CNc1ccc(C(=O)Oc2ccc(NC)cc2C(=O)O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CFD P00746 2/20 0.46
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KMT2A Q03164 3/20 0.41
PKM P14618 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
SCHEMBL730081 0.81 KMT2A (0.57) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4582016 0.79 PTPN1 (0.51) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL7331267 0.78 SMN1; SMN2 (0.70) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL805216 0.77 POLB (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL27528645 0.75 CFD (0.43) KDM4EHSD17B10ALDH1A1HPGDCFD
SCHEMBL727904 0.74 KDM4C (0.57) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL709947 0.74 HSD17B10 (0.47) KDM4EHSD17B10ALDH1A1MAPTRAB9A
SCHEMBL5925555 0.73 CA12 (0.66) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13596077 0.71 ALDH1A1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL25167821 0.70 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDMAPT

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-1910275-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP claimed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO claimed