SCHEMBL7199085

SCHEMBL7199085

CCCC(c1ncc[nH]1)c1ccc(C(=O)O)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
MRGPRX4 Q96LA9 7/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4C Q9H3R0 4/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
PTGER1 P34995 3/20 0.40
KDM5A P29375 3/20 0.40
KDM5B Q9UGL1 3/20 0.40
KDM4A O75164 1/20 0.38
KDM2B Q8NHM5 1/20 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
SCHEMBL4642486 0.92 HDAC8 (0.45) NR4A2MRGPRX4NR4A1NR4A3HDAC8
SCHEMBL5597418 0.84 MRGPRX4 (0.36) NR4A2MRGPRX4LMNAFABP3FABP4
SCHEMBL5597310 0.80 FPR2 (0.44) MRGPRX4PTGER1KDM5AKDM5B
SCHEMBL4642508 0.78 MRGPRX4 (0.39) NR4A2MRGPRX4LMNAHTTPTGER1
SCHEMBL2777367 0.77 NR4A2 (0.45) NR4A2MRGPRX4NR4A1NR4A3HDAC8
SCHEMBL7199087 0.74 NR4A2 (0.51) NR4A2MRGPRX4NR4A1NR4A3HDAC8
SCHEMBL4642228 0.73 FPR2 (0.44) MRGPRX4PTGER1KDM5AKDM5B
SCHEMBL4640765 0.71 FPR2 (0.40)
SCHEMBL4642685 0.70 FPR2 (0.47) LMNAHTT
SCHEMBL2353051 0.69 HDAC8 (0.44) HDAC8LMNAHTT

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
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed