SCHEMBL9638008

SCHEMBL9638008

O=C1OC(=O)c2c1ccc(Cl)c2Oc1c(Cl)ccc2c1C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.46
TDP1 Q9NUW8 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
ERCC1 P07992 1/20 0.32
ALOX12 P18054 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
CTRC Q99895 1/20 0.32
ADORA2A P29274 1/20 0.31

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
SCHEMBL9468785 0.87 TYMS (0.46) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL855450 0.78 TYMS (0.50) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL29462450 0.78 TYMS (0.50) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL9469599 0.77 ALOX15 (0.38) TYMSTDP1ALOX15ALDH1A1MAPT
SCHEMBL8849276 0.74 TYMS (0.47) TYMSTDP1ALOX15TSHRALDH1A1
Fluoride Ion SCHEMBL11260088 0.74 TYMS (0.47) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL9284604 0.74 TYMS (0.47) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL8764869 0.72 ALDH1A1 (0.47) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL29555800 0.71 TSHR (0.52) TYMSTDP1ALOX15TSHRALDH1A1
SCHEMBL542 0.71 TSHR (0.52) TYMSTDP1ALOX15TSHRALDH1A1

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-5101006-A Polyimides and copolyimides based on halo-oxydiphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1992-03-31 US claimed