SCHEMBL11036037

SCHEMBL11036037

O=C(O)c1ccc(OCCOc2c(Cl)cc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.64
PKM P14618 1/20 0.62
NR4A2 P43354 3/20 0.52
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
PLA2G4B P0C869 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RARB P10826 4/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL695344 0.89 PKM (0.57) PLAUPKMNR4A2MAPK1TSHR
SCHEMBL9623323 0.88 PLAU (0.79) PLAUPKMTSHRALDH1A1ALOX15
SCHEMBL694862 0.87 PKM (0.67) PKMNR4A2MAPK1TSHRTP53
SCHEMBL9622885 0.83 PLAU (0.62) PLAUTSHRTP53RXRARXRB
SCHEMBL9623589 0.83 PKM (0.60) PKMNR4A2MAPK1TSHRTP53
SCHEMBL196110 0.82 PKM (0.88) PKMNR4A2MAPK1TSHRTP53
SCHEMBL1708361 0.80 PLAU (0.68) PLAUTSHRTP53PLA2G4BRARB
SCHEMBL21854479 0.80 PLAU (0.72) PLAUTSHRALDH1A1ALOX15HTT
SCHEMBL8895199 0.79 PKM (0.46) PLAUPKMNR4A2MAPK1TSHR
SCHEMBL8894549 0.79 TP53 (0.47) PLAUPKMNR4A2TSHRTP53

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
JP-59124928-A None JP disclosed
JP-S59124928-A PRODUCTION OF COPOLYESTER TORAY IND INC 1984-07-19 JP disclosed