SCHEMBL9224679

SCHEMBL9224679

C[N+](CCO)(CCO)CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.41
CHRM5 P08912 10/20 0.41
CHRM3 P20309 10/20 0.41
CHRM4 P08173 8/20 0.41
PRKD3 O94806 2/20 0.38
PRKCG P05129 2/20 0.38
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCH P24723 2/20 0.38
PRKCI P41743 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCZ Q05513 2/20 0.38
PRKCD Q05655 2/20 0.38
PRKD1 Q15139 2/20 0.38
CHRM1 P11229 7/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL8882639 0.98 CHRM2 (0.39) CHRM2CHRM5CHRM3CHRM4PRKD3
SCHEMBL15978142 0.82 PRKD3 (0.49) CHRM2CHRM5CHRM3CHRM4PRKD3
Hydrochloric Acid SCHEMBL8881887 0.80 PRKD3 (0.47) CHRM2CHRM5CHRM3CHRM4PRKD3
Bromide SCHEMBL23877777 0.80 PRKD3 (0.50) CHRM2CHRM5CHRM3CHRM4PRKD3
SCHEMBL10836425 0.76 CHRM2 (0.34) CHRM2CHRM5CHRM3CHRM4PRKD3
Hydrochloric Acid SCHEMBL25244151 0.74 CHRM2 (0.33) CHRM2CHRM5CHRM3CHRM4PRKD3
SCHEMBL9412011 0.74 CHRM2 (0.42) CHRM2CHRM5CHRM3CHRM4PRKD3
SCHEMBL587166 0.73 CHRM2 (0.45) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL14574759 0.72 PRKD3 (0.36) CHRM2CHRM5CHRM3CHRM4PRKD3
Hydrochloric Acid SCHEMBL194773 0.71 CHRM2 (0.43) CHRM2CHRM5CHRM3CHRM4CHRM1

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-5401571-A Magnetic recording media having a binder comprising a sulfobetaine containing polyurethane resin TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US disclosed
EP-0343576-B1 Binders for magnetic recording media and magnetic recording media TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-08-03 EP disclosed
EP-0343576-A2 Binders for magnetic recording media and magnetic recording media Takeda Chemical Industries, Ltd. (JP) 1989-11-29 EP disclosed