SCHEMBL2040408

SCHEMBL2040408

CCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.43
ABHD16A O95870 2/20 0.43
PPARG P37231 2/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 2/20 0.36
PRKCA P17252 3/20 0.35
PRKD3 O94806 2/20 0.35
PRKCG P05129 2/20 0.35
PRKCB P05771 2/20 0.35
PRKCH P24723 2/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
PRKD1 Q15139 2/20 0.35
TP53 P04637 2/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL18614616 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614676 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614686 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614711 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL20561502 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL2040406 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614664 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614665 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL20561501 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1
SCHEMBL18614691 1.00 TYR (0.43) TYRABHD16APPARGTSHRALDH1A1

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
US-9028650-B2 Method of sizing paper SOLENIS TECHNOLOGIES, L.P. (US) 2015-05-12 US disclosed
EP-2513373-B1 PAPER SIZING COMPOSITION HERCULES INC (US) 2013-10-09 EP disclosed
EP-2513373-A2 PAPER SIZING COMPOSITION Hercules Incorporated (US) 2012-10-24 EP disclosed
WO-2011075633-A2 PAPER SIZING COMPOSITION HERCULES INCORPORATED (US) 2011-06-23 WO disclosed