SCHEMBL6231140

SCHEMBL6231140

CC(C)=CCC(O)[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 1/20 0.44
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL6231134 1.00 GRIK1 (0.44) GRIK1GRIK2FNTAFNTBALDH1A1
SCHEMBL1061282 1.00 GRIK1 (0.44) GRIK1GRIK2FNTAFNTBALDH1A1
SCHEMBL7635671 0.79 ALDH1A1 (0.51) FNTAFNTBALDH1A1KDM4EATM
SCHEMBL6480491 0.79 ALDH1A1 (0.51) FNTAFNTBALDH1A1KDM4EATM
SCHEMBL2592558 0.77 TP53 (0.39) ALDH1A1TP53
SCHEMBL28068346 0.76 GRIK1 (0.39) GRIK1GRIK2TP53TSHR
SCHEMBL976765 0.76 GRIK1 (0.39) GRIK1GRIK2TP53TSHR
SCHEMBL9550933 0.75 GRIK1 (0.38) GRIK1GRIK2FNTAFNTBALDH1A1
SCHEMBL16579852 0.75 GRIK1 (0.48) GRIK1GRIK2FNTAFNTBALDH1A1
SCHEMBL132111 0.75 GRIK1 (0.48) GRIK1GRIK2FNTAFNTBALDH1A1

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
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP claimed