SCHEMBL8070811

SCHEMBL8070811

C=C(C(=O)OCN(C)C)C(Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.45
EGFR P00533 2/20 0.40
CASP1 P29466 1/20 0.39
LMNA P02545 3/20 0.39
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM4 P08173 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL169629 0.86 CHRM1 (0.56) CHRM1LMNACHRM2CHRM3CYP1A2
Ammonia Solution, Strong SCHEMBL28164353 0.85 CHRM1 (0.54) CHRM1LMNACHRM2CHRM3CYP1A2
SCHEMBL10546414 0.83 CASP1 (0.55) CASP1LMNACYP1A2CYP2D6HPGD
SCHEMBL28529361 0.78 LMNA (0.64) CHRM1LMNACHRM2CHRM3CYP1A2
SCHEMBL27533616 0.78 KMT2A (0.47) LMNACYP1A2CYP2D6HPGDSMN1; SMN2
SCHEMBL27075143 0.78 IDO1 (0.40) CHRM1CASP1LMNACHRM2CHRM3
SCHEMBL28976986 0.73 CHRM1 (0.39) CHRM1LMNACHRM2CHRM3CYP1A2
SCHEMBL2461998 0.71 HPGD (0.47) LMNACYP2D6HPGDSMN1; SMN2ALDH1A1
SCHEMBL28175997 0.70 HPGD (0.37) LMNACYP2D6HPGDSMN1; SMN2ALDH1A1
SCHEMBL29819688 0.68 CHRM1 (0.49) CHRM1LMNACHRM2CHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872497-B1 Fluorescent cationic monomers useful for tagging water soluble polymers NALCO CHEMICAL CO (US) 2000-09-20 EP disclosed
EP-0872497-A2 Fluorescent cationic monomers useful for tagging water soluble polymers NALCO CHEMICAL COMPANY (US) 1998-10-21 EP disclosed