SCHEMBL853556

SCHEMBL853556

O=C1OC(=O)c2c1cc(F)c(Cl)c2Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TYMS P04818 2/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

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
SCHEMBL27801935 0.86 ALDH1A1 (0.41) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL4924942 0.86 ALDH1A1 (0.41) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL855562 0.79 ALDH1A1 (0.52) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL855172 0.76 ALDH1A1 (0.43) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL30523205 0.75 ALOX15 (0.37) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL855653 0.75 ALOX15 (0.37) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL854561 0.74 ALDH1A1 (0.41) ALDH1A1TSHRALOX15TDP1TYMS
SCHEMBL29441718 0.73 ALOX15 (0.48) ALDH1A1ALOX15TDP1TYMSGABRP
SCHEMBL652925 0.73 ALOX15 (0.48) ALDH1A1ALOX15TDP1TYMSGABRP
Phthalic Anhydride SCHEMBL9348467 0.72 ALDH1A1 (0.68) ALDH1A1TSHRALOX15TDP1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433933-B1 PRODUCTION METHOD OF TRI- OR TETRAHALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL CO (JP) 2019-05-08 EP disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed