SCHEMBL4544043

SCHEMBL4544043

CC(C)Cn1nnnc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.35
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP2A P11388 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 3/20 0.31
USP2 O75604 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
SCHEMBL24666923 0.83 CNR2 (0.40) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL20711369 0.82 ALDH1A1 (0.32) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL4405271 0.77 CYP1A2 (0.42) ALDH1A1LMNAKMT2AMAPK1
SCHEMBL4410876 0.76 MAPK1 (0.43) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL12764087 0.76 CYP1A2 (0.48) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL95314 0.75 MAPK1 (0.36) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL4411106 0.75 LMNA (0.31) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL24142447 0.75 MAPK1 (0.36) ALDH1A1LMNAKMT2ASLC6A2SLC6A4
SCHEMBL4405543 0.74 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL11767534 0.74 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1

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