SCHEMBL9790002

SCHEMBL9790002

O=Cc1cc(Cl)ccc1O.O=Cc1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.67
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
AR P10275 2/20 0.50
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL29694515 0.82 ERN1 (1.00) ERN1CA1CA2MEN1MAPT
SCHEMBL247839 0.82 ERN1 (1.00) ERN1CA1CA2MEN1MAPT
SCHEMBL27925777 0.82 ERN1 (1.00) ERN1CA1CA2MEN1MAPT
SCHEMBL78586 0.80 SMN1; SMN2 (0.59) ERN1CA1CA2MEN1KMT2A
SCHEMBL11407251 0.80 ERN1 (0.96) ERN1CA1CA2MEN1MAPT
SCHEMBL11530954 0.80 ERN1 (0.96) ERN1MEN1MAPTKMT2ATRIM24
SCHEMBL29556927 0.80 ALDH1A1 (0.59) CA1CA2MEN1MAPTKMT2A
Benzene SCHEMBL28103329 0.80 ALDH1A1 (0.59) CA1CA2MEN1MAPTKMT2A
SCHEMBL20448823 0.80 ALDH1A1 (0.59) CA1CA2MEN1MAPTKMT2A
SCHEMBL78873 0.80 ALDH1A1 (0.59) CA1CA2MEN1MAPTKMT2A

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-5075488-A Fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-24 US disclosed