SCHEMBL8042218

SCHEMBL8042218

CC(=O)C(CO)CCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
KISS1R Q969F8 1/20 0.37
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CPB2 Q96IY4 1/20 0.34
TBXAS1 P24557 2/20 0.33
CYP4F2 P78329 1/20 0.33

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
SCHEMBL4237401 0.98 KISS1R (0.38) MMP1MMP3MMP2MMP7KISS1R
SCHEMBL4544186 0.84 CA2 (0.44) MMP1MMP3MMP2MMP7KISS1R
SCHEMBL294189 0.84 CA2 (0.53) CA2GPR84FFAR1LMNAKDM4E
SCHEMBL4482348 0.84 CA2 (0.53) CA2GPR84FFAR1LMNAKDM4E
SCHEMBL1715014 0.84 CA2 (0.44) MMP1MMP3MMP2MMP7KISS1R
SCHEMBL65182 0.84 KISS1R (0.38) MMP1MMP3MMP2MMP7KISS1R
SCHEMBL7898617 0.82 HDAC7 (0.46) KISS1RCA2LMNAALDH1A1HSD17B10
SCHEMBL3506400 0.82 CA2 (0.50) CA2GPR84FFAR1LMNA
SCHEMBL28697355 0.82 CA2 (0.50) CA2GPR84FFAR1LMNA
SCHEMBL18217929 0.80 KISS1R (0.42) MMP1MMP3MMP2MMP7KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654079-A4 A REAGENT STABILIZED BY BIVALENT METAL SALTS. BOEHRINGER MANNHEIM CORP (US) 1996-10-02 EP claimed
EP-0654079-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1995-05-24 EP claimed
WO-1994001544-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1994-01-20 WO claimed
EP-0654079-B1 A REAGENT STABILIZED BY BIVALENT METAL SALTS ROCHE DIAGNOSTICS CORP (US) 2000-03-22 EP disclosed
EP-0654079-A4 A REAGENT STABILIZED BY BIVALENT METAL SALTS. BOEHRINGER MANNHEIM CORP (US) 1996-10-02 EP disclosed
EP-0654079-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994001544-A1 A REAGENT STABILIZED BY BIVALENT METAL SALTS BOEHRINGER MANNHEIM CORPORATION (US) 1994-01-20 WO disclosed