SCHEMBL9762463

SCHEMBL9762463

CCOC(C)N(c1ccccc1C)C(C)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
ESR1 P03372 1/20 0.31
CYP2D6 P10635 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
SCHEMBL29216797 0.75 LMNA (0.38) LMNAALDH1A1KDM4ECYP3A4TRPM8
SCHEMBL7723641 0.75 L3MBTL1 (0.36) LMNAKDM4EL3MBTL1TSHRSLC6A2
SCHEMBL2572166 0.75 L3MBTL1 (0.40) LMNAALDH1A1KDM4ETP53L3MBTL1
SCHEMBL2038945 0.73 ACHE (0.43) LMNAALDH1A1CYP3A4TRPM8TP53
SCHEMBL7731821 0.73 L3MBTL1 (0.35) LMNAL3MBTL1ADRA2AADRA2BHTR2A
O-Xylene SCHEMBL28066372 0.71 LMNA (0.57) LMNACYP3A4L3MBTL1TSHRACHE
SCHEMBL29069502 0.70 ALDH1A1 (0.35) LMNAALDH1A1KDM4ECYP3A4TRPM8
SCHEMBL2124908 0.70 TSHR (0.39) LMNAALDH1A1KDM4ECYP3A4TRPM8
SCHEMBL4352608 0.69 ALDH1A1 (0.38) LMNAALDH1A1TSHRACHECYP2C19
SCHEMBL10766412 0.69 CYP3A4 (0.37) LMNAALDH1A1KDM4ECYP3A4TRPM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997918-A Benzthiazolium azo dyes CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
EP-0105031-B1 CATIONIC AZO DYESTUFFS CIBA-GEIGY AG (CH) 1989-01-04 EP disclosed
EP-0105031-A2 Cationic azo dyestuffs CIBA-GEIGY AG (CH) 1984-04-04 EP disclosed