SCHEMBL7867041

SCHEMBL7867041

O=C(O)c1c2c(c3ccc(O)c(O)c3c1C(=O)O)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RNASEH1 O60930 1/20 0.35
PTPN11 Q06124 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
LCK P06239 2/20 0.34
LDHA P00338 4/20 0.34
LDHB P07195 4/20 0.34
DPP4 P27487 1/20 0.32
SRC P12931 2/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32

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
SCHEMBL28141650 0.80 SELL (0.43) SELLSELPCA12CA1CA2
SCHEMBL27791559 0.72 PTPN11 (0.37) SELLSELPCA12CA1CA2
SCHEMBL170434 0.69 NPC1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL84141 0.68 CDC7 (0.46) CA12CA1CA2CA7CA9
SCHEMBL728615 0.68 DPP4 (0.37) SELLSELPCA12CA1CA2
SCHEMBL1930355 0.67 CYP1A2 (0.36) CA12CA1CA2CA7CA9
SCHEMBL10338512 0.67 CYP1A2 (0.36) CA12CA1CA2CA7CA9
SCHEMBL7772701 0.67 CYP1A2 (0.40) SELLSELPLDHAALDH1A1KDM4E
SCHEMBL973491 0.66 CA1 (0.59) SELLSELPCA12CA1CA2
SCHEMBL3238461 0.66 CA1 (0.59) SELLSELPCA12CA1CA2

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-6300462-B1 Process for preparing poly(ethylene-2,6-naphthalene dicarboxylate EASTMAN CHEMICAL COMPANY 2001-10-09 US disclosed