SCHEMBL3308609

SCHEMBL3308609

C/C=C/C#CC#C/C=C/C=C/CCCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HMGCR P04035 2/20 0.36
FASN P49327 1/20 0.35
FAAH O00519 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3308611 1.00 TSHR (0.39) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL28102522 0.83 HMGCR (0.40) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL28071097 0.83 HMGCR (0.40) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL29627131 0.77 FASN (0.45) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL27697824 0.77 FASN (0.45) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL28070993 0.77 FASN (0.45) TSHRALDH1A1HMGCRFASNFAAH
SCHEMBL28070991 0.77 HMGCR (0.58) HMGCRFASNFAAHKDM4E
SCHEMBL23727076 0.75 FASN (0.56) HMGCRFASNFAAHKDM4E
SCHEMBL6473565 0.75
SCHEMBL6479729 0.75

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
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed