SCHEMBL9810064

SCHEMBL9810064

CCCCCCCCCC(O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
PPARG P37231 5/20 0.47
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
ADA P00813 1/20 0.43
PPARA Q07869 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SPHK1 Q9NYA1 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL5793872 0.98 CSNK1E (0.45) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL2857703 0.87 AOC3 (0.41) PPARGALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL20711188 0.84 CYSLTR2 (0.47) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL4688464 0.84 CYSLTR2 (0.47) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL11350827 0.84 CYSLTR2 (0.47) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL28110318 0.84 CYSLTR2 (0.47) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL5875326 0.84 CYSLTR2 (0.47) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL16294616 0.82 CYP1A2 (0.41) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL20921378 0.82 CYP1A2 (0.41) CSNK1EPPARGALDH1A1HSD17B10KDM4E
SCHEMBL25521022 0.82 CYSLTR2 (0.46) CSNK1EPPARGALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277032-B1 THERMOCHROMIC DOUBLE-COMPLEX SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-29 EP disclosed
US-4971725-A TRANSITION METAL SALTS; USEFUL AS TEMPERATURE INDICATORS AND IN IMAGING APPLICATIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-11-20 US disclosed
US-4834909-A Thermochromic double-complex salts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-05-30 US disclosed
EP-0277032-A2 Thermochromic double-complex salts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-08-03 EP disclosed