SCHEMBL4776927

SCHEMBL4776927

COc1cccc(-c2cccc(C(=O)Cl)c2OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
NFE2L2 Q16236 2/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTSD P07339 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7428124 0.92 CTSD (0.46) CNR2NPC1RAB9AHPGDALDH1A1
SCHEMBL341330 0.90 NPC1 (0.53) CNR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31074983 0.90 NPC1 (0.53) CNR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4778742 0.83 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL699716 0.82 ALDH1A1 (0.45) CNR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4746226 0.80 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL8658218 0.80 MAPK1 (0.58) CNR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27903906 0.80 HTT (0.56) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL196440 0.80 MGAM (0.55) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL29248144 0.79 CA12 (0.58) NPC1RAB9ASMN1; SMN2HPGDTP53

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
EP-1940372-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS Revotar Biopharmaceuticals AG (DE) 2008-07-09 EP disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed