SCHEMBL11038262

SCHEMBL11038262

CC(O)C(O)N(CCCN)C(O)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 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
SCHEMBL11038235 0.84 ALDH1A1 (0.31)
SCHEMBL352468 0.82 CHRM2 (0.35) CHRM2TRPV1TRPA1
Hydrochloric Acid SCHEMBL8523035 0.80 CHRM2 (0.33) CHRM2TRPV1TRPA1
SCHEMBL825691 0.76 MEN1 (0.46) CHRM2TRPV1TRPA1
SCHEMBL4199487 0.75 CHRM2 (0.44) CHRM2TRPV1TRPA1
SCHEMBL1893121 0.74 CHRM2 (0.36) CHRM2
SCHEMBL5090997 0.73 CHRM2 (0.32) CHRM2
SCHEMBL4206791 0.73 CHRM2 (0.48) CHRM2TRPV1TRPA1
SCHEMBL5311026 0.73 CHRM2 (0.32) CHRM2
SCHEMBL4199490 0.73 CHRM2 (0.48) CHRM2TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055386-B1 HAIR-DYEING PREPARATIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1984-09-26 EP disclosed