SCHEMBL6593202

SCHEMBL6593202

NC(CCc1cc(C(=O)O)nc2c(OCc3ccccc3)cccc12)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.46
FOLH1 Q04609 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PTGER1 P34995 4/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL6081112 0.82 KDM4E (0.40) MEN1RAB9AKMT2A
SCHEMBL6590566 0.81 MRGPRX4 (0.46) MRGPRX4FOLH1HDAC3HDAC4HDAC1
SCHEMBL6080885 0.80 MRGPRX4 (0.41) MRGPRX4FOLH1PTGER1LTB4RLTB4R2
SCHEMBL6599193 0.79 HDAC3 (0.45) MRGPRX4FOLH1HDAC3HDAC4HDAC1
SCHEMBL6593195 0.78 MTNR1B (0.56) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6593208 0.78 MRGPRX4 (0.45) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6607104 0.78 PTGER1 (0.45) MRGPRX4FOLH1HDAC3HDAC4HDAC1
SCHEMBL6080497 0.76 MRGPRX4 (0.51) MRGPRX4FOLH1HDAC3HDAC4HDAC1
SCHEMBL6596560 0.75 HPGD (0.51) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6080597 0.73 ADORA3 (0.41) MRGPRX4FOLH1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed