SCHEMBL27993113

SCHEMBL27993113

CCOC(=O)c1ccc(C)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
METTL3 Q86U44 1/20 0.54
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL27980809 0.87 METTL3 (0.43) TSHRMETTL3CA12CA1CA2
SCHEMBL27259744 0.85 CYP4F2 (0.55) TSHRMETTL3CA12CA1CA2
SCHEMBL3699729 0.84 TSHR (0.63) TSHRMETTL3CA12CA1CA2
SCHEMBL7966180 0.81 PTGS2 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL1760338 0.80 TSHR (0.53) TSHRMETTL3CA12CA1CA2
SCHEMBL3436904 0.79 CYP4F2 (0.53) TSHRMETTL3CA12CA1CA2
SCHEMBL31380439 0.79 CYP4F2 (0.53) TSHRMETTL3CA12CA1CA2
SCHEMBL6689492 0.78 TSHR (0.47) TSHRMETTL3CA12CA1CA2
SCHEMBL28644344 0.77 TSHR (0.54) TSHRALDH1A1HSD17B10MAPK1MEN1
SCHEMBL28731066 0.77 ALDH1A1 (0.50) TSHRCA12CA1CA2CA7

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
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed