SCHEMBL1969059

SCHEMBL1969059

C=CCOC(=O)C(CO)(CO)CCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL27761303 0.84 CYP3A4 (0.41) TSHRCYP4F2CYP4A11CYP3A4TDP1
SCHEMBL27714241 0.81 TSHR (0.46) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL28144759 0.80 CYP4F2 (0.44) CYP4F2CYP4A11MAPTHSD17B10LMNA
SCHEMBL5915455 0.79 TSHR (0.44) TSHRCYP4F2CYP4A11CYP3A4TDP1
SCHEMBL2363793 0.79 CYP3A4 (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL9236229 0.78 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL19105257 0.78 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL27195623 0.78 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL29220429 0.76 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL8763640 0.76 TSHR (0.54) TSHRCYP4F2CYP4A11MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334634-A1 (METH)ACRYLATE MONOMER, POLYMER, AND COATING AGENT Evonik Röhm GmbH (DE) 2011-06-22 EP disclosed
CN-101821345-A Aqueous dispersion comprising at least one alkyd resin and at least one polymer comprising at least one (meth) acrylate segment EVONIK ROEHM GMBH 2010-09-01 CN disclosed
WO-2010026119-A1 (METH)ACRYLATE MONOMER, POLYMER, AND COATING AGENT EVONIK RÖHM GMBH (DE) 2010-03-11 WO disclosed