SCHEMBL27980809

SCHEMBL27980809

Cc1ccc(C(=O)OCO)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.43
TSHR P16473 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL27993113 0.87 TSHR (0.55) METTL3TSHRCA12CA1CA2
SCHEMBL7966180 0.79 PTGS2 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL27980814 0.77 ALDH1A1 (0.43) METTL3TSHRCA12CA1CA2
SCHEMBL27981046 0.75 HPGD (0.46) TSHRCA12CA1CA2CA7
SCHEMBL27980997 0.74 KDM4E (0.40) METTL3CA12CA1CA2CA7
SCHEMBL27259744 0.73 CYP4F2 (0.55) METTL3TSHRCA12CA1CA2
SCHEMBL25859075 0.73 MEN1 (0.55) TSHRCA12CA1CA2CA7
SCHEMBL109811 0.72 CLCN2 (0.49) METTL3TSHRPTGS2ALDH1A1KDM4E
SCHEMBL107481 0.72 CLCN2 (0.38) METTL3TSHRPTGS2ALDH1A1LMNA
SCHEMBL11214195 0.72 CLCN2 (0.38) METTL3TSHRPTGS2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed