SCHEMBL4409273

SCHEMBL4409273

CCCCCCc1nnnn1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.34
CYP19A1 P11511 5/20 0.34
SLC9A1 P19634 2/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL20963387 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRKCNH2CYP19A1
SCHEMBL4407084 0.98 ALDH1A1 (0.41) ALDH1A1LMNATSHRCYP19A1SLC9A1
SCHEMBL4407247 0.92 ALDH1A1 (0.46) ALDH1A1LMNATSHRSLC9A1
SCHEMBL18723130 0.87 LMNA (0.34) ALDH1A1LMNATSHRCYP19A1
SCHEMBL4405692 0.83
SCHEMBL4672679 0.82 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL4409151 0.82 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP19A1SLC9A1
SCHEMBL96984 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4414808 0.81 SLC9A1 (0.42) ALDH1A1SLC9A1
SCHEMBL4407183 0.81 SLC9A1 (0.42) ALDH1A1SLC9A1

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