SCHEMBL327259

SCHEMBL327259

C=CCOS(=O)(=O)c1ccc(C=C)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ATM Q13315 1/20 0.32
PTPRC P08575 1/20 0.31
HPGD P15428 1/20 0.31
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
LDHA P00338 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
SCHEMBL314320 0.85 ALDH1A1 (0.35) ALDH1A1MAPTHTTMCOLN3LMNA
SCHEMBL325853 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTLMNATSHR
SCHEMBL313915 0.80 ALDH1A1 (0.33) ALDH1A1MAPK1LDHA
SCHEMBL27597413 0.78 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRCA12CA1
SCHEMBL31296 0.78 CA1 (0.47) ALDH1A1CYP3A4CA1CA9ATM
Formaldehyde SCHEMBL368036 0.77 CA1 (0.46) ALDH1A1CYP3A4CA1CA9ATM
SCHEMBL132051 0.77 CA1 (0.46) ALDH1A1CYP3A4CA1CA9ATM
SCHEMBL9427939 0.77 CA1 (0.46) ALDH1A1CYP3A4CA1CA9ATM
SCHEMBL11769722 0.77 CA1 (0.46) ALDH1A1CYP3A4CA1CA9ATM
SCHEMBL8615019 0.77 LDHA (0.37) ALDH1A1TSHRCA1CA9CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed