SCHEMBL4409002

SCHEMBL4409002

CCCCCCc1nnnn1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.35
CYP19A1 P11511 3/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4408212 0.98 CNR2 (0.46) CNR2TRPV1MAPTCYP19A1ALDH1A1
SCHEMBL4404533 0.93 CNR2 (0.47) CNR2TRPV1MAPTALDH1A1
SCHEMBL4409119 0.86 CNR2 (0.49) CNR2TRPV1MAPTLMNAALDH1A1
SCHEMBL4409151 0.82 ALDH1A1 (0.40) CYP19A1LMNATSHRALDH1A1
SCHEMBL4414808 0.81 SLC9A1 (0.42) ALDH1A1
SCHEMBL4409237 0.81 SLC9A1 (0.42) ALDH1A1
SCHEMBL4409040 0.81 CYP1A2 (0.39) LMNATSHRALDH1A1
SCHEMBL4408311 0.81 MEN1 (0.40) LMNA
SCHEMBL4407183 0.81 SLC9A1 (0.42) ALDH1A1
SCHEMBL4404245 0.80 ALDH1A1 (0.41) LMNATSHRALDH1A1

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