SCHEMBL4765102

SCHEMBL4765102

CCC(=O)c1ccccc1-c1cc(OC)c(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
TNFSF11 O14788 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
AHR P35869 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CTSD P07339 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL5045736 0.85 NPC1 (0.49) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27455646 0.82 HMGCR (0.50) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL28323667 0.81 LMNA (0.49) RAB9AHPGDTNFSF11MAPTALDH1A1
SCHEMBL27655331 0.80 HPGD (0.47) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27977856 0.78 MAPT (0.55) SMN1; SMN2NPC1RAB9AHPGDTNFSF11
SCHEMBL878658 0.78 NPC1 (0.64) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL29738645 0.78 NPC1 (0.64) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4764754 0.76 HMGCR (0.72) HMGCRMAPTALDH1A1MEN1KMT2A
SCHEMBL17746918 0.75 HMGCR (0.78) HMGCRSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL28738497 0.74 MYC (0.52) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008208134-A PROCESS FOR PREPARATION OF PHARMACOLOGICALLY ACTIVE alpha-ASARONE DERIVED FROM TOXIC beta-ASARONE-RICH CALAMUS OIL COUNCIL SCIENT IND RES 2008-09-11 JP disclosed