SCHEMBL6812967

SCHEMBL6812967

COCOc1cc(C(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
SMPD1 P17405 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAOB P27338 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.52
RXRA P19793 1/20 0.51
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.49
BRD4 O60885 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL3123036 0.92 MAOB (0.64) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL31025721 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL340620 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL9236564 0.87 SMPD1 (0.73) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL12526571 0.87 SMPD1 (0.58) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL8231047 0.85 MEN1 (0.69) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL7987656 0.85 LTB4R (0.66) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL7994027 0.85 LTB4R (0.66) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL1602208 0.84 MRGPRX4 (0.53) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL11179076 0.82 MAOB (0.56) NPC1RAB9ASMN1; SMN2HPGDSMPD1

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
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed