SCHEMBL8941202

SCHEMBL8941202

COC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)OC)cc1I.O=C(O)c1cc(Br)c(C(=O)O)c(C(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
PGR P06401 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
HRH1 P35367 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8380470 0.84 TSHR (0.50) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL8381827 0.80 KDM4E (0.54) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL8378478 0.77 TSHR (0.51) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL8378602 0.76 TSHR (0.50) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL8382975 0.72 KDM4E (0.54) KDM4ECYP2C8CYP2C9HSD17B10TSHR
SCHEMBL8380474 0.72 TSHR (0.51) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL235942 0.71 MAPT (0.59) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL236293 0.71 TSHR (0.50) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL8674887 0.71 TSHR (0.53) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL5965482 0.70 AKR1C3 (0.51) KDM4EHPGDCYP1A2CYP2D6CYP2C19

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-0713506-A1 A PROCESS FOR PREPARING NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER BLENDS HAVING REDUCED FLUORESCENCE EASTMAN CHEM CO (US) 1996-05-29 EP disclosed
WO-1995004777-A1 A PROCESS FOR PREPARING NAPHTHALENEDICARBOXYLIC ACID CONTAINING POLYMER BLENDS HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1995-02-16 WO disclosed