SCHEMBL4408212

SCHEMBL4408212

CCCCCc1nnnn1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 3/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4409002 0.98 CNR2 (0.44) CNR2TRPV1MAPTALDH1A1CYP19A1
SCHEMBL4404533 0.95 CNR2 (0.47) CNR2TRPV1MAPTALDH1A1CYP1A2
SCHEMBL4409119 0.87 CNR2 (0.49) CNR2TRPV1MAPTALDH1A1CYP1A2
SCHEMBL4404245 0.82 ALDH1A1 (0.41) ALDH1A1ATMSMN1; SMN2
SCHEMBL4405575 0.80 SLC9A1 (0.41) ALDH1A1
SCHEMBL4409151 0.80 ALDH1A1 (0.40) ALDH1A1CYP19A1
SCHEMBL4414852 0.80 KMT2A (0.41) MAPTALDH1A1
SCHEMBL4407820 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2
SCHEMBL20711367 0.80 CNR2 (0.49) CNR2TRPV1MAPTALDH1A1SMN1; SMN2
SCHEMBL4407849 0.80 CNR2 (0.51) CNR2TRPV1MAPTALDH1A1CYP1A2

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