SCHEMBL13995191

SCHEMBL13995191

COC(C)C(=O)OCCCC(CC(=O)O)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP2 P08253 8/20 0.31
MMP3 P08254 7/20 0.31
MMP1 P03956 3/20 0.31
BIRC2 Q13490 1/20 0.31
MMP7 P09237 1/20 0.31
FOLH1 Q04609 1/20 0.31
PDF Q9HBH1 1/20 0.31
MMP12 P39900 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
SCHEMBL12141561 0.95 MMP2 (0.33) KISS1RCA1CA2MMP2MMP3
SCHEMBL13995187 0.90 FOLH1 (0.32) FOLH1MMP12
SCHEMBL13995201 0.86 FOLH1 (0.37) KISS1RFOLH1
SCHEMBL13995206 0.84 ALDH1A1 (0.41)
SCHEMBL13995204 0.84 ALDH1A1 (0.41)
SCHEMBL12141471 0.80 MME (0.32) FOLH1
SCHEMBL13995193 0.80 ALDH1A1 (0.44) KISS1RMMP2MMP3MMP1BIRC2
SCHEMBL13995190 0.79 ALDH1A1 (0.39) FOLH1
SCHEMBL9917640 0.79 TDP1 (0.31) KISS1R
SCHEMBL13995175 0.79 USP2 (0.34) KISS1RPDF

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
US-7470768-B2 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2008-12-30 US disclosed
US-20070073006-A1 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-03-29 US disclosed