SCHEMBL1700175

SCHEMBL1700175

COC(c1cccc2ccccc12)C1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.43
ADRA2B P18089 5/20 0.43
ADRA2C P18825 5/20 0.43
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SSTR4 P31391 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL1893357 0.87 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CAOC3ALDH1A1
SCHEMBL753789 0.79 TDP1 (0.38) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28337647 0.75 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1CYP1A2
SCHEMBL28337644 0.75 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1CYP1A2
SCHEMBL7299447 0.75 ALDH1A1 (0.46) ADRA2AADRA2BADRA2CALDH1A1CYP1A2
SCHEMBL10420202 0.73 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CALDH1A1CYP1A2
SCHEMBL7294198 0.73 EPHX1 (0.55) ALDH1A1CYP2C9SLC6A4SLC6A2SLC6A3
SCHEMBL16974437 0.71 ADRA2A (0.61) ADRA2AADRA2BADRA2CAOC3ALDH1A1
SCHEMBL2524557 0.71 ALDH1A1 (0.54) ADRA2AADRA2BADRA2CAOC3ALDH1A1
SCHEMBL31127390 0.71 ALDH1A1 (0.54) ADRA2AADRA2BADRA2CAOC3ALDH1A1

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-2576702-A1 USE OF SURFACE-MODIFIED EFFECT PIGMENTS IN A SOLVENT-FREE COATING AGENT, SOLVENT-FREE COATING AGENT AND COATED OBJECT Eckart GmbH (DE) 2013-04-10 EP disclosed
WO-2011147892-A1 USE OF SURFACE-MODIFIED EFFECT PIGMENTS IN A SOLVENT-FREE COATING AGENT, SOLVENT-FREE COATING AGENT AND COATED OBJECT ECKART GMBH (DE) 2011-12-01 WO disclosed