SCHEMBL4549074

SCHEMBL4549074

C=C(C)C(=O)NCCN(CC)c1ccc(C(=O)OCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
ESRRG P62508 2/20 0.40
MAOA P21397 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTR3A P46098 1/20 0.39
RAB9A P51151 3/20 0.38
BLM P54132 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESRRB O95718 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 4/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38

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
SCHEMBL18058939 0.90 GLA (0.43) GLAMAOAHRH3TSHRCYP2D6
SCHEMBL5579238 0.86 GLA (0.45) GLAMAOAHRH3TSHRRAB9A
SCHEMBL19215609 0.81 GLA (0.43) GLAMAOAHRH3TSHRCYP2D6
SCHEMBL554715 0.78 KMT2A (0.56) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL2606279 0.77 GLA (0.46) GLAMAOAHRH3TSHRCYP2D6
SCHEMBL278714 0.76 RAB9A (0.45) GLAMAOATSHRRAB9ANPC1
SCHEMBL15040873 0.73 GLA (0.40) GLAMAOAHRH3TSHRCYP2D6
SCHEMBL15779709 0.73 PHLPP2 (0.45) MAOAHRH3TSHRCYP2D6HTR3A
SCHEMBL10060549 0.73 GLA (0.41) GLAMAOAHRH3TSHRCYP2D6
SCHEMBL14475397 0.72 ESR1 (0.55) TSHRCYP2D6RAB9ANPC1MEN1

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-2447259-A1 Polymerisable photoinitiators for LED curable compositions Agfa-Gevaert (BE) 2012-05-02 EP disclosed