SCHEMBL28055331

SCHEMBL28055331

CCCCC(CC(=O)NN)c1ccc(O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
LMNA P02545 1/20 0.38
AR P10275 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IAPP P10997 1/20 0.35
PDF Q9HBH1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
ROCK2 O75116 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL7593758 0.82 ESR1 (0.43) ESR1ESR2PDFCA1CA2
SCHEMBL28860946 0.79 ESR1 (0.47) ESR1ESR2LMNAARALDH1A1
SCHEMBL3873634 0.75 GAA (0.47) ESR1ESR2LMNAARALDH1A1
SCHEMBL13715399 0.75 F2 (0.41) ESR1ESR2ARALDH1A1GAA
SCHEMBL28313793 0.73 F10 (0.36) ESR1ESR2LMNAALDH1A1GAA
SCHEMBL27843119 0.73 ESR1 (0.50) ESR1ESR2LMNAARALDH1A1
SCHEMBL5301206 0.73 ESR1 (0.50) ESR1ESR2LMNAAR
SCHEMBL13093046 0.70 ESR1 (0.44) ESR1ESR2ARALDH1A1GAA
SCHEMBL11228867 0.70 GAA (0.52) ESR1ESR2LMNAARALDH1A1
SCHEMBL7104482 0.69 GAA (0.44) ESR1ESR2ALDH1A1GAA

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
CN-105295354-A New weather-proof stabilizer used for thermoplastic polyurethane RIANLON CORP 2016-02-03 CN disclosed