SCHEMBL997534

SCHEMBL997534

C=CC(=O)c1cccc2c1SCCO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 1/20 0.41
CTNNB1 P35222 7/20 0.35
WNT3A P56704 7/20 0.35
KDM4E B2RXH2 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL998828 0.85 AKT1 (0.34) MTNR1AAKT1
SCHEMBL8481752 0.81 MTNR1A (0.48) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL6583525 0.79 MTNR1A (0.50) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL804188 0.74 SLC9A1 (0.39) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL8374249 0.71 MTNR1A (0.46) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL997623 0.69 CTNNB1 (0.46) CTNNB1WNT3AKDM4EAKT1MAPK1
SCHEMBL6582388 0.69 MTNR1A (0.48) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL997528 0.68 CTNNB1 (0.58) CTNNB1WNT3AKDM4EAKT1MAPK1
SCHEMBL8291502 0.67 MTNR1A (0.46) MTNR1AMTNR1BCTNNB1WNT3AMAPK1
SCHEMBL6582231 0.67 MTNR1A (0.43) MTNR1AMTNR1BCTNNB1WNT3AHSD17B10

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
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed