SCHEMBL4403753

SCHEMBL4403753

CCCCCCc1nnn(C(Cl)(Cl)C(Cl)(Cl)Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.33
CYP19A1 P11511 3/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MIF P14174 1/20 0.31
XDH P47989 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4407375 0.98 GGPS1 (0.32) GGPS1CYP19A1GABRA2GABRB2MIF
SCHEMBL4408208 0.93 GGPS1 (0.31) GGPS1
SCHEMBL4407891 0.87 ALDH1A1 (0.35) CYP19A1GABRA2GABRB2MIFXDH
SCHEMBL4414685 0.86
SCHEMBL4410762 0.85 MIF (0.33) CYP19A1GABRA2GABRB2MIFALDH1A1
SCHEMBL4407156 0.81 MIF (0.33) CYP19A1MIFXDHALDH1A1
SCHEMBL4408964 0.80 GABRA2 (0.35) CYP19A1GABRA2GABRB2MIFXDH
SCHEMBL4405651 0.80 GABRA2 (0.30) GABRA2GABRB2ALDH1A1
SCHEMBL4405497 0.80 MIF (0.33) MIFXDHALDH1A1
SCHEMBL4405828 0.79

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