SCHEMBL8977878

SCHEMBL8977878

C=CCc1cc(Cl)cc(C(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.46
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TP53 P04637 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 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
SCHEMBL671144 0.80 PTGDR (0.40) ALDH1A1CYP3A4PTGDRPTGDR2TP53
SCHEMBL21986386 0.80 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10CYP3A4AKR1C4
SCHEMBL12747377 0.80 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10CYP3A4GAA
SCHEMBL28761699 0.78 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10CYP3A4GAA
SCHEMBL2541137 0.78 PTGDR (0.59) ALDH1A1HPGDCYP3A4PTGDRPTGDR2
SCHEMBL11216716 0.77 POLB (0.41) ALDH1A1HPGDHSD17B10PTGDRPTGDR2
SCHEMBL31519070 0.77 TSHR (0.56) ALDH1A1HPGDHSD17B10CYP3A4PTGDR
SCHEMBL28704965 0.76 CYP3A4 (0.65) ALDH1A1HPGDHSD17B10CYP3A4GAA
SCHEMBL11037631 0.76 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP3A4PTGDR
SCHEMBL27750939 0.75 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CYP3A4GAA

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-0518374-B1 A process for the preparation of alkyl 3-chloroanthranilates DOWELANCO (US) 1996-05-01 EP claimed