SCHEMBL4404245

SCHEMBL4404245

CCCCCc1nnnn1CC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
MIF P14174 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
SCHEMBL4409151 0.98 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL4409185 0.94 ALDH1A1 (0.42) ALDH1A1HTR1ALMNAMEN1KMT2A
SCHEMBL4407820 0.86 CYP1A2 (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4405575 0.86 SLC9A1 (0.41) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4414852 0.86 KMT2A (0.41) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4408138 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTR1ALMNATSHR
SCHEMBL4407183 0.85 SLC9A1 (0.42) ALDH1A1MEN1KMT2AHTT
SCHEMBL4414808 0.85 SLC9A1 (0.42) ALDH1A1MEN1KMT2AHTT
SCHEMBL4409040 0.85 CYP1A2 (0.39) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4408311 0.85 MEN1 (0.40) LMNAMEN1KMT2AHTT

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