SCHEMBL4266944

SCHEMBL4266944

CCCCC(CC)Cn1c(O)cc(C)c(C(N)=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
CA2 P00918 4/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CNR2 P34972 1/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 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
SCHEMBL11635995 0.89 BCL2L1 (0.37) BCL2L1CA2CA1ALDH1A1MAPT
SCHEMBL11241059 0.83 BCL2L1 (0.37) BCL2L1CA2ALDH1A1MAPTMAPK1
SCHEMBL4271188 0.83 BCL2L1 (0.38) BCL2L1TP53CNR2LMNASMN1; SMN2
SCHEMBL11236043 0.81 ALDH1A1 (0.37) BCL2L1CA2ALDH1A1MAPTMAPK1
SCHEMBL11428293 0.81 BCL2L1 (0.36) BCL2L1CA2ALDH1A1MAPTMAPK1
SCHEMBL9347629 0.80 CNR2 (0.46) ALDH1A1KDM4ECNR2LMNASMN1; SMN2
SCHEMBL4266313 0.80 KDM4E (0.48) ALDH1A1MAPTMAPK1HSD17B10KDM4E
SCHEMBL11424505 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4ECNR2LMNA
SCHEMBL11431968 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4ECNR2LMNA
SCHEMBL11637786 0.78 BCL2L1 (0.37) BCL2L1CA2ALDH1A1MAPTMAPK1

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-8211606-B2 Coloring compound, yellow toner, sheet for heat-sensitive transfer recording, and ink CANON KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090075193-A1 COLORING COMPOUND, YELLOW TONER, SHEET FOR HEAT-SENSITIVE TRANSFER RECORDING, AND INK CANON KABUSHIKI KAISHA (JP) 2009-03-19 US disclosed
US-4225491-A REACTIVE DYES FOR COTTON ICI UNITED STATES, INC. (US) 1980-09-30 US disclosed