SCHEMBL8040148

SCHEMBL8040148

C=C(Oc1cccc(O)c1-c1cccc2[nH]nnc12)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PARP1 P09874 1/20 0.31
ELANE P08246 1/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 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
SCHEMBL6465615 0.76 MEN1 (0.31) KMT2AMEN1
SCHEMBL285497 0.74
SCHEMBL553580 0.73 THRB (0.40) MAPTALDH1A1LMNATSHRGAA
SCHEMBL9268433 0.73 MAOA (0.38) CA1CA2CA7CA9MAPT
SCHEMBL27561443 0.71 PDE5A (0.39) KMT2AKDM4EALDH1A1LMNATSHR
SCHEMBL3974124 0.71 MEN1 (0.31) KMT2AMEN1
SCHEMBL6450964 0.71 MEN1 (0.30) KMT2AMEN1
SCHEMBL2037376 0.70 MAOA (0.36) CA1CA2CA7CA9MAPT
SCHEMBL8844752 0.69 MAPT (0.33) MAPTKDM4ELMNAPARP1
SCHEMBL8218667 0.69 HSPA5 (0.35) MAPTKMT2AKDM4EMEN1ALDH1A1

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed