SCHEMBL9540649

SCHEMBL9540649

O=S(=O)(c1cccc(Cl)c1O)c1cccc(Cl)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.43
HSD11B1 P28845 4/20 0.43
TDP1 Q9NUW8 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
DNMT1 P26358 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
AKR1B1 P15121 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL10425221 0.86 HSD11B1 (0.53) ACLYHSD11B1TSHRKMT2AGAA
SCHEMBL7952903 0.85 HSD11B1 (0.51) HSD11B1CA1CA2ACHEGAA
SCHEMBL27812266 0.84 ACLY (0.42) ACLYHSD11B1TDP1CA1CA2
SCHEMBL10423502 0.84 TTR (0.42) ACLYHSD11B1TDP1CA1CA2
SCHEMBL6657862 0.83 CA1 (0.55) ACLYCA1CA2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27286541 0.83 ACLY (0.41) ACLYHSD11B1TDP1CA1CA2
SCHEMBL2642805 0.83 HSD11B1 (0.42) ACLYHSD11B1TDP1CA1CA2
SCHEMBL2642878 0.79 CXCR2 (0.43) ACLYHSD11B1TDP1CA1ALDH1A1
2,6-Dichlorophenol SCHEMBL5578255 0.78 ALDH1A1 (0.44) TDP1CA1ALDH1A1TSHRMEN1
SCHEMBL2642491 0.77 COMT (0.45) ACLYL3MBTL1ALDH1A1TSHRMAPT

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
WO-1993002123-A1 PROCESS FOR PREPARING HALOGENATED POLYCARBONATE THE DOW CHEMICAL COMPANY (US) 1993-02-04 WO disclosed