SCHEMBL5783643

SCHEMBL5783643

Nc1cc(CC=O)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
FOLH1 Q04609 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
MAOB P27338 3/20 0.42

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
SCHEMBL8605351 0.86 APP (0.46) APPMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL10826146 0.85 SLC2A1 (0.54) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL4704085 0.81 FFAR4 (0.63) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL6231443 0.81 MAOA (0.56) APPMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL4747321 0.81 S1PR5 (0.54) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL6079992 0.81 APP (0.50) APPMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL16300892 0.80 APP (0.46) APPMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL3950505 0.80 PTGER4 (0.62) APPMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10409146 0.79 APP (0.49) APPMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL11372714 0.78 MAPT (0.56) APPMAPTL3MBTL1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 WO disclosed