SCHEMBL4405753

SCHEMBL4405753

CC(C)Cc1nnnn1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 4/20 0.41
LMNA P02545 2/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.36
GRM5 P41594 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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
SCHEMBL4408385 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4408120 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4408268 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4407839 0.79 ALDH1A1 (0.32) ALDH1A1NPSR1LMNA
SCHEMBL4416287 0.77 ALDH1A1 (0.58) ALDH1A1NPSR1LMNAHDAC1HDAC6
SCHEMBL22069560 0.75 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAHDAC1HDAC6
SCHEMBL4407852 0.75 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAHDAC1HDAC6
SCHEMBL16211963 0.75 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAHDAC1HDAC6
SCHEMBL4406782 0.73 ALDH1A1 (0.54) ALDH1A1NPSR1LMNAHDAC1HDAC6
SCHEMBL4411241 0.72 ALDH1A1 (0.39) ALDH1A1NPSR1LMNAGAASMN1; SMN2

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