SCHEMBL8942199

SCHEMBL8942199

CCCCOC(=O)C=Cc1cc(F)c(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.50
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 3/20 0.45
ESR1 P03372 1/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL8942198 1.00 APP (0.50) APPATMHCAR2ESR1MAPT
SCHEMBL8942320 0.86 CYP3A4 (0.47) HCAR2ESR1MAPT
SCHEMBL8942315 0.86 CYP3A4 (0.47) HCAR2ESR1MAPT
SCHEMBL8942374 0.82 TDP1 (0.55) APPATMMAPTTSHR
SCHEMBL8942373 0.82 TDP1 (0.55) APPATMMAPTTSHR
SCHEMBL585888 0.81 APP (0.59) APPATMHCAR2ESR1SMN1; SMN2
SCHEMBL585889 0.81 APP (0.59) APPATMHCAR2ESR1SMN1; SMN2
SCHEMBL6792876 0.78 APP (0.53) APPATMHCAR2MAPTRAB9A
SCHEMBL6792878 0.78 APP (0.53) APPATMHCAR2MAPTRAB9A
SCHEMBL12610085 0.78 ATM (0.53) APPATMHCAR2SMN1; SMN2HPGD

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
US-5516932-A Halogenated cinnamic acids and esters thereof, processes for the preparation thereof and halogenated aryldiazonium salts HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed