SCHEMBL11522993

SCHEMBL11522993

O=C(Cl)c1cc(Cl)cc(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
AKR1C4 P17516 3/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 3/20 0.44
BCL2L1 Q07817 2/20 0.43
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
PSD A5PKW4 1/20 0.39
TTR P02766 1/20 0.39
PARP1 P09874 1/20 0.37
PARG Q86W56 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL4122753 0.83 AKR1C3 (0.64) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31652668 0.83 AKR1C3 (0.64) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
Hydrochloric Acid SCHEMBL11522996 0.82 AKR1C3 (0.62) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL221422 0.82 MAOA (0.49) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11760933 0.81 AKR1C4 (0.67) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30855203 0.79 ERN1 (0.46) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21046886 0.79 ERN1 (0.46) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29334185 0.79 ERN1 (0.46) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29683224 0.79 ERN1 (0.46) ERN1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4891035 0.78 AKR1C4 (0.69) ERN1AKR1C4AKR1C3AKR1C2AKR1C1

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-4159342-A Substituted 2-acyloxybenzoic acid anilides BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed