SCHEMBL4408216

SCHEMBL4408216

CCCCCCc1nnnn1C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 6/20 0.33
SLC9A1 P19634 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CETP P11597 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
SCHEMBL4413082 0.98 ALDH1A1 (0.33) GABRA2GABRB2LMNATSHRCYP19A1
SCHEMBL4415100 0.93 ALDH1A1 (0.36) GABRA2GABRB2ALDH1A1
SCHEMBL4405974 0.87 GABRA2 (0.35) GABRA2GABRB2LMNATSHRCYP19A1
SCHEMBL4406600 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4408984 0.85 ALDH1A1 (0.35) GABRA2GABRB2LMNATSHRALDH1A1
SCHEMBL4403650 0.81 ALDH1A1 (0.49) LMNATSHRCYP19A1SLC9A1ALDH1A1
SCHEMBL4405949 0.80 ALDH1A1 (0.35) GABRA2GABRB2LMNATSHRCYP19A1
SCHEMBL4409018 0.80 ALDH1A1 (0.50) LMNATSHRALDH1A1ATMSMN1; SMN2
SCHEMBL4412051 0.80 ALDH1A1 (0.38) GABRA2GABRB2ALDH1A1
SCHEMBL4407121 0.79 ALDH1A1 (0.38) LMNAALDH1A1

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