SCHEMBL10049583

SCHEMBL10049583

C=C(C)C(=O)OCCNC(=O)Nc1ccc(C(C)CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 3/20 0.49
EPHX1 P07099 3/20 0.46
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CASR P41180 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL10093635 0.85 KMT2A (0.44) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL10093564 0.83 CNR1 (0.49) KMT2ARAB9ANPC1MEN1NPSR1
SCHEMBL12379364 0.83 TSHR (0.42) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL1735929 0.82 CNR1 (0.44) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL3246106 0.82 GAA (0.54) KMT2ARAB9ANPC1MEN1NPSR1
SCHEMBL23848315 0.81 MTNR1B (0.45) KMT2ARAB9ANPC1MEN1NPSR1
SCHEMBL10060673 0.81 CNR1 (0.43) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL31151992 0.81 CNR1 (0.43) KMT2ARAB9ANPC1MEN1NPSR1
SCHEMBL14565939 0.81 SMN1; SMN2 (0.49) KMT2ATSHRMEN1SMN1; SMN2ALDH1A1
SCHEMBL3252273 0.81 NPSR1 (0.55) KMT2ATSHRRAB9ANPC1MEN1

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
US-20120053287-A1 RESIN COMPOSITION FOR INSULATING LAYER SUMITOMO CHEMICAL COMPANY, LTD (JP) 2012-03-01 US disclosed