SCHEMBL2606331

SCHEMBL2606331

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.40
THRB P10828 1/20 0.38
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MLYCD O95822 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAOA P21397 1/20 0.34
CNR1 P21554 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 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
SCHEMBL10060550 0.82 MEN1 (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16693316 0.80 THRB (0.45) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5579284 0.79 EGFR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL18058938 0.78 EGFR (0.36) NAMPTTHRBTSHRHPGDALDH1A1
SCHEMBL13512783 0.78 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL24788139 0.76 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL12370889 0.73 THRB (0.55) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL20925178 0.73 THRB (0.45) THRBTSHRHPGDALDH1A1TP53
SCHEMBL21115682 0.72 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13512762 0.72 TSHR (0.54) THRBTSHRHPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444429-A1 Led curable compositions Agfa-Gevaert (BE) 2012-04-25 EP disclosed