SCHEMBL10698355

SCHEMBL10698355

CCCCc1cccc(C(=O)O)c1OOCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PTPN11 Q06124 1/20 0.44
PLK1 P53350 1/20 0.43
LTA4H P09960 2/20 0.41
DHODH Q02127 1/20 0.41
KMT2A Q03164 2/20 0.40
PLA2G4B P0C869 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL10698413 0.95 PTPN11 (0.47) ALDH1A1PTPN11PLK1PLA2G4BTP53
SCHEMBL1513988 0.81 MAPT (0.45) LTA4HKMT2AKDM4EMEN1HSD17B10
SCHEMBL975210 0.81 PTPN11 (0.46) PTPN11TSHR
SCHEMBL976080 0.79 PTPN11 (0.45) PTPN11TSHR
SCHEMBL975211 0.79 PTPN11 (0.45) PTPN11TSHR
SCHEMBL974446 0.79 PTPN11 (0.45) PTPN11TSHR
SCHEMBL28793611 0.79 PTPN11 (0.45) PTPN11TSHR
SCHEMBL368881 0.78 BID (0.50) ALDH1A1PTPN11TSHR
SCHEMBL22588786 0.78 PPARA (0.46) ALDH1A1KMT2AKDM4EMEN1NPC1
SCHEMBL10697512 0.77 ALDH1A1 (0.54) ALDH1A1KMT2APKMKDM4EMEN1

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
EP-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed