SCHEMBL4409018

SCHEMBL4409018

CCCCCc1nnnn1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MIF P14174 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
SCHEMBL4403650 0.98 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HDAC1HDAC6
SCHEMBL4405392 0.94 ALDH1A1 (0.51) ALDH1A1LMNANPSR1HDAC1HDAC6
SCHEMBL4406782 0.86 ALDH1A1 (0.54) ALDH1A1LMNANPSR1HDAC1HDAC6
SCHEMBL4408984 0.84 ALDH1A1 (0.35) ALDH1A1LMNATSHRATMSMN1; SMN2
SCHEMBL4403707 0.84 ALDH1A1 (0.35) ALDH1A1LMNATSHRATMSMN1; SMN2
SCHEMBL4405949 0.82 ALDH1A1 (0.35) ALDH1A1LMNATSHR
SCHEMBL4405974 0.82 GABRA2 (0.35) ALDH1A1LMNATSHRATMSMN1; SMN2
SCHEMBL9205017 0.81 ALDH1A1 (0.46) ALDH1A1LMNANPSR1HDAC1HDAC6
SCHEMBL4405290 0.81 ALDH1A1 (0.33) ALDH1A1ATMSMN1; SMN2
SCHEMBL4413082 0.81 ALDH1A1 (0.33) ALDH1A1LMNATSHRATMSMN1; 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