SCHEMBL15219085

SCHEMBL15219085

O=C(C#CC(=O)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.59
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55

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
SCHEMBL13077425 0.87 APP (0.49) APPESR1ESR2LMNAMAPT
Anemarchalconyn SCHEMBL775177 0.84 APP (0.82) APPESR1ESR2MAPTALDH1A1
SCHEMBL10428831 0.83 CA1 (0.53) APPESR1ESR2LMNAMAPT
SCHEMBL8903743 0.81 MAPT (0.55) APPESR1ESR2LMNAMAPT
SCHEMBL21180312 0.80 HSD17B3 (0.52) APPESR1ESR2LMNAMAPT
SCHEMBL12060209 0.79 ESR1 (0.52) APPESR1ESR2LMNAMAPT
SCHEMBL10363774 0.79 MAPT (0.52) APPESR1ESR2LMNAMAPT
SCHEMBL13077427 0.79 VCP (0.71) APPLMNAMAPTHTTCA1
SCHEMBL5354484 0.78 ALDH5A1 (0.65) ESR1ESR2LMNAMAPTPKM
Paraben SCHEMBL21061691 0.74 CA2 (0.94) ESR1ESR2LMNAMAPTPKM

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
EP-2391666-B1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2013-08-28 EP disclosed