SCHEMBL5579284

SCHEMBL5579284

C=CC(=O)OCCN(CCOC(=O)C=C)C(=O)c1ccc(N(C)CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
MLYCD O95822 2/20 0.40
TSHR P16473 5/20 0.39
HPGD P15428 3/20 0.39
THRB P10828 1/20 0.37
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18058938 0.89 EGFR (0.36) EGFRERBB2MLYCDTSHRHPGD
SCHEMBL10060550 0.88 MEN1 (0.48) EGFRERBB2TSHRHPGDTHRB
SCHEMBL5579296 0.83 TSHR (0.43) TSHRHPGDTHRBALDH1A1MAPT
SCHEMBL2606331 0.79 NAMPT (0.40) MLYCDTSHRHPGDTHRBALDH1A1
SCHEMBL278601 0.78 TSHR (0.56) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL10386780 0.76 CYP2A6 (0.42) TSHRHPGDTHRBKMT2AALDH1A1
SCHEMBL12380041 0.74 ALDH1A1 (0.49) TSHRHPGDTHRBALDH1A1MAPT
SCHEMBL21322323 0.74 PHLPP2 (0.47) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8550438 0.73 TP53 (0.49) TSHRHPGDTHRBALDH1A1MAPT
SCHEMBL23084256 0.72 MAPT (0.53) TSHRMEN1KMT2AALDH1A1MAPT

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-2447259-A1 Polymerisable photoinitiators for LED curable compositions Agfa-Gevaert (BE) 2012-05-02 EP disclosed
WO-2012052288-A1 POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS AGFA-GEVAERT (BE) 2012-04-26 WO disclosed