SCHEMBL4413432

SCHEMBL4413432

CC(C)(C)Cc1nnn(CC(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4409055 0.83 SMN1; SMN2 (0.42) PKMATMHSD17B10
SCHEMBL4412009 0.83 PKM (0.34) CNR1CNR2PKMATMHSD17B10
SCHEMBL4407947 0.80 PKM (0.33) CNR1CNR2PKMATMHSD17B10
SCHEMBL4413603 0.80 ALDH1A1 (0.39) PKMATMHSD17B10
SCHEMBL4400322 0.79 TRPV1 (0.49) CNR1CNR2
SCHEMBL4405653 0.79 TRPV1 (0.36) CNR1CNR2
SCHEMBL4405193 0.77 HSD17B10 (0.36) PKMATMHSD17B10
SCHEMBL18522461 0.77
SCHEMBL4411853 0.76 TRPV1 (0.37)
SCHEMBL20222955 0.76 CNR2 (0.51) CNR2PKMATMHSD17B10

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed