SCHEMBL5083146

SCHEMBL5083146

CCOc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 2/20 0.52
NR1I2 O75469 1/20 0.52
CYP2C9 P11712 1/20 0.52
MIF P14174 1/20 0.52
TYR P14679 1/20 0.52
NFE2L2 Q16236 1/20 0.52
GAA P10253 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.44
KMT2A Q03164 2/20 0.42
CALM1 P0DP23 2/20 0.42
LTA4H P09960 1/20 0.40
ESR1 P03372 1/20 0.40
NAMPT P43490 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9149513 0.86 ALDH1A1 (0.48) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL30611016 0.85 ALDH1A1 (0.52) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL11680067 0.85 ALDH1A1 (0.47) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL28222240 0.85 ALDH1A1 (0.52) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL8405886 0.84 RXRA (0.54) CYP2C9CALM1LTA4HRXRARXRB
SCHEMBL9145788 0.84 CALM1 (0.41) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL30611015 0.82 ALDH1A1 (0.48) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL28516656 0.82 ALDH1A1 (0.48) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL224388 0.82 THRA (0.56) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL9699752 0.82 THRA (0.56) ALDH1A1LMNAALOX15HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US claimed
EP-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP claimed
US-20080125531-A1 Polymerizable Composition, Thermoplastic Resin Composition, Crosslinked Resin, And Crosslinked Resin Composite Materials ZEON COROPRATION (JP) 2008-05-29 US disclosed
EP-1589054-A1 POLYMERIZABLE COMPOSITION, THERMOPLASTIC RESIN COMPOSITION, CROSSLINKED RESIN, AND CROSSLINKED RESIN COMPOSITE MATERIALS Zeon Corporation (JP) 2005-10-26 EP disclosed
EP-1521528-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2005-04-13 EP disclosed
WO-2004006677-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-22 WO disclosed
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US disclosed
EP-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP disclosed