SCHEMBL3944668

SCHEMBL3944668

O=C(Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.O=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.59
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RXRA P19793 2/20 0.55
RXRB P28702 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55
XBP1 P17861 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NR4A2 P43354 2/20 0.54

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
SCHEMBL1599431 0.95 HPGD (0.59) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29557477 0.95 HPGD (0.59) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1600077 0.92 MRGPRX4 (0.62) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29556736 0.92 MRGPRX4 (0.62) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10857748 0.91 MRGPRX4 (0.61) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7861369 0.87 HPGD (0.52) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL341137 0.87 NPC1 (0.73) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL184987 0.87 SMPD1 (0.71) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7863787 0.86 MRGPRX4 (0.56) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4280782 0.85 MRGPRX4 (0.74) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO disclosed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO disclosed