SCHEMBL4746226

SCHEMBL4746226

COc1cccc(-c2ccccc2C(C)=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL29466500 0.89 HDAC4 (0.59) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL27903906 0.87 HTT (0.56) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL1957953 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1RAB9ATP53
Benzylacetone SCHEMBL27465961 0.85 ALDH1A1 (0.51) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL5242291 0.85 PARP1 (0.51) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL29931828 0.84 NPC1 (0.58) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL341046 0.84 NPC1 (0.58) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL27655331 0.83 HPGD (0.47) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL978349 0.83 NPC1 (0.49) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL27532250 0.83 MAPT (0.51) SMN1; SMN2LMNANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106519630-A Antifogging polycarbonate material and preparation method thereof 南京悠谷知识产权服务有限公司 2017-03-22 CN disclosed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed
CN-1098279-C Polymerized microemulsion pressure-sensitive adhesive compositions and method of preparing and using same MINNESOTA MINING & MFG (US) 2003-01-08 CN disclosed
CN-1191546-A Polymerized microemulsion pressure sensitive adhesive compositions and methods of making and using the same MINNESOTA MINING & MFG (US) 1998-08-26 CN disclosed
US-4745505-A Magnetic head with a modified gap filler U.S. PHILIPS CORPORATION (US) 1988-05-17 US disclosed
EP-0130652-A1 Magnetic head and method of manufacturing same Koninklijke Philips Electronics N.V. (NL) 1985-01-09 EP disclosed