SCHEMBL7575571

SCHEMBL7575571

O=CC(C=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 4/20 0.43
CYP3A4 P08684 1/20 0.43
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36
MGAM O43451 1/20 0.36
POLB P06746 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
SCHEMBL3978958 0.81 TP53 (0.48) TP53LMNAHTTTDP1TSHR
SCHEMBL838659 0.79 TP53 (0.57) TP53LMNAHTTTDP1CYP3A4
SCHEMBL21495096 0.79 TP53 (0.47) TP53LMNAHTTTDP1TSHR
SCHEMBL435408 0.79 TP53 (0.47) TP53LMNAHTTTDP1TSHR
SCHEMBL1961187 0.79 TP53 (0.47) TP53LMNAHTTTDP1TSHR
SCHEMBL28227421 0.76 TP53 (0.44) TP53LMNAHTTTDP1TSHR
SCHEMBL17755076 0.76 LMNA (0.53) TP53LMNAHTTTDP1IDO1
SCHEMBL4686827 0.76 TP53 (0.44) TP53LMNAHTTTDP1IDO1
SCHEMBL5069257 0.75 ALDH1A1 (0.45) TP53LMNAHTTTDP1IDO1
SCHEMBL9447753 0.75 TP53 (0.47) TP53LMNAHTTTDP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773248-B1 Polymers with heterocyclic side groups MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
US-5668245-A PHENYLENE POLYMERS WITH HETEROCYCLIC SIDE GROUPS MAXDEM INCORPORATED (US) 1997-09-16 US disclosed
EP-0773248-A1 Polymers with heterocyclic side groups MAXDEM INCORPORATED (US) 1997-05-14 EP disclosed