SCHEMBL4413082

SCHEMBL4413082

CCCCCc1nnnn1C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC9A1 P19634 3/20 0.31
TLR7 Q9NYK1 3/20 0.31
CYP19A1 P11511 4/20 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
SCHEMBL4408216 0.98 GABRA2 (0.34) ALDH1A1GABRA2GABRB2ATMSMN1; SMN2
SCHEMBL4415100 0.95 ALDH1A1 (0.36) ALDH1A1GABRA2GABRB2
SCHEMBL4406600 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4408984 0.86 ALDH1A1 (0.35) ALDH1A1GABRA2GABRB2ATMSMN1; SMN2
SCHEMBL4405974 0.85 GABRA2 (0.35) ALDH1A1GABRA2GABRB2ATMSMN1; SMN2
SCHEMBL4409018 0.81 ALDH1A1 (0.50) ALDH1A1ATMSMN1; SMN2LMNATSHR
SCHEMBL4412051 0.81 ALDH1A1 (0.38) ALDH1A1GABRA2GABRB2
SCHEMBL4407121 0.80 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL4403707 0.79 ALDH1A1 (0.35) ALDH1A1GABRA2GABRB2ATMSMN1; SMN2
SCHEMBL4403650 0.79 ALDH1A1 (0.49) ALDH1A1LMNATSHRSLC9A1TLR7

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