SCHEMBL18071038

SCHEMBL18071038

O=C1OC(=O)c2cc(Oc3ccc(S(=O)(=O)O)cc3)c3c4ccc5c6c(cc(Oc7ccc(S(=O)(=O)O)cc7)c(c7ccc1c2c73)c64)C(=O)OC5=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.32
▸ TYMS P04818 3/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL18068782 0.96 SOS1 (0.35) TYMSTSHRSMN1; SMN2
SCHEMBL18068778 0.83 GSTP1 (0.37) TYMSSMN1; SMN2MAPK1
SCHEMBL13508265 0.79 FGFR2 (0.36) MAPK1
SCHEMBL15509048 0.75 KDM4E (0.49) TSHRSMN1; SMN2MAPK1
SCHEMBL15505372 0.74 ALDH1A1 (0.46) TSHRSMN1; SMN2MAPK1
SCHEMBL4882248 0.74 TYMS (0.37) TYMS
SCHEMBL14230788 0.73 MEN1 (0.33) TYMS
SCHEMBL12170833 0.73 ICAM1 (0.40) —
SCHEMBL13509076 0.73 FGFR2 (0.35) MAPK1
SCHEMBL15508935 0.72 NR1H2 (0.34) SMN1; SMN2

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-20160266292-A1 Coatable Polymer Polarizer LIGHT POLYMERS HOLDING (KY) 2016-09-15 — — US disclosed
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