SCHEMBL28042914

SCHEMBL28042914

O=C(O)c1cc2c(c(OCc3ccccc3)c1)OCC=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTGER1 P34995 4/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 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
SCHEMBL28042771 0.80 KMT2A (0.39) KMT2AHPGDRXRA
SCHEMBL28042730 0.79 PLA2G2A (0.42) HPGDTP53RXRA
SCHEMBL28042726 0.78 PLA2G2A (0.47) MEN1KMT2AHPGDTP53
SCHEMBL793724 0.75 MEN1 (0.65) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL30077214 0.75 MEN1 (0.50) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL14660694 0.74 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3
Hydrochloric Acid SCHEMBL514496 0.74 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL5838451 0.71 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL642448 0.71 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL17966385 0.71 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3

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
CN-103265517-B 3-substituted cumarin analog derivative and uses thereof ZHEJIANG UNIVERSITY (CN) 2016-01-13 CN disclosed