SCHEMBL10030951

SCHEMBL10030951

C=CC(=O)OCCOC(C)OCCOCCOCC(CC)(COCCOCCOC(=O)c1cccc2sc3ccccc3c(=O)c12)COCCOCCOC(=O)c1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10030950 0.85 THRB (0.45) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL2023940 0.83 THRB (0.42) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL12256658 0.83
SCHEMBL10030969 0.81 THRB (0.40) THRB
SCHEMBL20428260 0.79 MAPT (0.34) THRBALDH1A1TSHRHSD17B10KDM4E
SCHEMBL11994248 0.79 ADRB2 (0.35) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL16574414 0.78 SCN1A (0.43) TP53HIF1AKDM4ELMNAKMT2A
SCHEMBL12795174 0.77 MAOA (0.39) THRBALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL10030964 0.76 ALDH1A1 (0.46) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL27487006 0.76 TSHR (0.52) ALDH1A1TSHRKDM4EMEN1LMNA

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
US-8883873-B2 Polymerizable polymeric photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2014-11-11 US disclosed
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US disclosed