SCHEMBL6744050

SCHEMBL6744050

C/C=C/C=C/C(=O)OC(=O)CC.[CaH2]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 6/20 0.32
CNR1 P21554 4/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL28160427 0.98 LMNA (0.35) LMNAMAPK1HTTCNR2CNR1
SCHEMBL27535742 0.98 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL4529332 0.96 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL10555642 0.96 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL4894326 0.94 LMNA (0.35) LMNAMAPK1HTTCNR2CNR1
SCHEMBL8452083 0.85 LMNA (0.36) LMNAMAPK1HTTCNR2CNR1
SCHEMBL2261535 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL988310 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1238290 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1907658 0.82 MAPK1 (0.38) LMNAMAPK1HTTCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5526771-A Animal excrement treatment material and method for producing the same KABUSHIKIKAISHA DAIKI (JP) 1996-06-18 US claimed
US-6693216-B2 A CALCIUM DOUBLE SALT OF ORGANIC (PRESERVATIVE) ACIDS OF FORMULA CA(R1)(R2) WHERE R1 AND R2 ARE DIFFERENT AND ARE EACH OOC-R3, R3=SATURATED OR MONOUNSATURATED OR POLYUNSATURATED C1-C5-ALKYL, C1-C5-HYDROXYALKYL OR PHENYL NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-02-17 US disclosed
US-20020068113-A1 Calcium double salts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2002-06-06 US disclosed