SCHEMBL7994027

SCHEMBL7994027

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.66
LTB4R2 Q9NPC1 3/20 0.66
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 2/20 0.56
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ELANE P08246 4/20 0.51
F2 P00734 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL7987656 1.00 LTB4R (0.66) LTB4RLTB4R2NPC1HPGDRAB9A
SCHEMBL3123036 0.93 MAOB (0.64) LTB4RLTB4R2NPC1HPGDRAB9A
SCHEMBL8637573 0.88 KMT2A (0.60) LTB4RLTB4R2SMN1; SMN2MEN1KMT2A
SCHEMBL9236564 0.86 SMPD1 (0.73) NPC1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL31025721 0.86 NPC1 (0.75) NPC1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL340620 0.86 NPC1 (0.75) NPC1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL6812967 0.85 NPC1 (0.59) LTB4RLTB4R2NPC1HPGDRAB9A
SCHEMBL16471662 0.83 NPC1 (0.53) LTB4RLTB4R2NPC1HPGDRAB9A
SCHEMBL12526571 0.83 SMPD1 (0.58) LTB4RLTB4R2NPC1HPGDRAB9A
SCHEMBL4939800 0.82 NPC1 (0.62) NPC1HPGDRAB9ASMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed