SCHEMBL11536692

SCHEMBL11536692

O=CC(=O)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
FOLH1 Q04609 4/20 0.60
PTGER1 P34995 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4370497 0.87 NPC1 (0.57) KDM4EALDH1A1POLBL3MBTL1NR4A1
SCHEMBL1649243 0.87 FOLH1 (0.68) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL131229 0.83 FOLH1 (0.63) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL2532316 0.82 ELANE (0.56) KDM4EALDH1A1POLBL3MBTL1PTGER1
SCHEMBL4295650 0.82 FOLH1 (0.62) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL25160011 0.81 POLB (0.54) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL29151389 0.81 POLB (0.54) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL3174029 0.81 LMNA (0.56) POLBL3MBTL1FOLH1NPC1RAB9A
SCHEMBL551475 0.81 FOLH1 (0.60) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL5485828 0.81 SMPD1 (0.70) KDM4EALDH1A1POLBL3MBTL1FOLH1

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-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 US disclosed