SCHEMBL4401431

SCHEMBL4401431

C=C(C)COCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
OPRK1 P41145 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.31
RAB9A P51151 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
Hydrochloric Acid SCHEMBL11692103 0.98 CA12 (0.38) CA12CA1CA2CA9OPRK1
SCHEMBL23677139 0.96 CA12 (0.46) CA12CA1CA2CA9OPRK1
SCHEMBL24149907 0.84 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL875496 0.83 MEN1 (0.35)
Glycinebetaine SCHEMBL7567881 0.80 BBOX1 (0.35) OPRK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10283598 0.79 CA12 (0.38) CA12CA1CA2CA9OPRK1
SCHEMBL631462 0.79 HSD17B10 (0.37)
SCHEMBL12333027 0.79 THRB (0.37)
SCHEMBL19480170 0.79 CHRM2 (0.41) CA12CA1CA2CA9OPRK1
SCHEMBL20506253 0.78 BTN3A1 (0.40) CA12CA1CA2CA9OPRK1

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
EP-3102079-B1 DISPERSIBLE HYDROENTANGLED BASESHEET WITH TRIGGERABLE BINDER KIMBERLY CLARK CO (US) 2023-01-04 EP claimed
EP-1937733-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-12-30 EP claimed
EP-1539259-B1 WET WIPES COMPRISING ION TRIGGERABLE, CATIONIC POLYMERS KIMBERLY CLARK CO (US) 2007-07-25 EP claimed