SCHEMBL5395161

SCHEMBL5395161

CCCCCCCCCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
CHRM4 P08173 12/20 0.56
CHRM5 P08912 12/20 0.56
CHRM3 P20309 12/20 0.56
CHRM2 P08172 11/20 0.56
CHRM1 P11229 11/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
BCL2 P10415 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
HTR2A P28223 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SCN1A P35498 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49

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
SCHEMBL28270229 1.00 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL11413546 1.00 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL5159643 0.92 SIGMAR1 (0.62) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL27980773 0.91 SIGMAR1 (0.55) SIGMAR1CHRM4CHRM5CHRM3CHRM2
Hydrochloric Acid SCHEMBL10512222 0.90 CHRM4 (0.62) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL14288467 0.88 SIGMAR1 (0.55) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL4431781 0.87 SIGMAR1 (0.66) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL12267924 0.86 SCN5A (0.65) SIGMAR1CHRM4CHRM5CHRM3CHRM2
SCHEMBL11831207 0.85 SCN5A (0.56) SIGMAR1SCN5ASCN9AGAA
SCHEMBL11835995 0.85 SCN5A (0.56) SIGMAR1SCN5ASCN9AGAA

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-7229739-B2 Infrared sensitive mixture of a hydroxy substituted polymer such as a novolak or resole and a diphenylcarbinol solubility suppressor, e.g.,4,4'-bis(dimethylamino)benzhydrol, benzhydrol or 4,4'-dimethoxybenzhydrol; may also contain an infrared radiation absorbing compound. ANOCOIL CORPORATION (US) 2007-06-12 US disclosed
WO-2006065261-A1 IMPROVED POSITIVE WORKING THERMAL PLATES ANOCOIL CORPORATION (US) 2006-06-22 WO disclosed
US-20060127802-A1 Positive working thermal plates ANOCOIL CORPORATION (US) 2006-06-15 US disclosed