SCHEMBL11460642

SCHEMBL11460642

CC(=O)C(CCCCCCC/C=C\CCCCCCCCC(O)C(O)CO)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DGKA P23743 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CETP P11597 1/20 0.34

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
SCHEMBL11458799 0.89 CYP2D6 (0.38) TRPV1FFAR1MAPTTP53CYP1A2
SCHEMBL10824977 0.89 CYP2D6 (0.38) TRPV1FFAR1MAPTTP53CYP1A2
SCHEMBL11458801 0.83 DEGS1 (0.46) DEGS1TRPV1TRPM8FFAR1FFAR4
SCHEMBL11451965 0.83 DEGS1 (0.46) DEGS1TRPV1TRPM8FFAR1FFAR4
SCHEMBL11469791 0.83 DEGS1 (0.46) DEGS1TRPV1TRPM8FFAR1FFAR4
SCHEMBL1101078 0.79 SPHK1 (0.53) DEGS1FFAR1FFAR4MAPTALDH1A1
SCHEMBL1963079 0.79 SPHK1 (0.53) DEGS1FFAR1FFAR4MAPTALDH1A1
SCHEMBL314278 0.79 SPHK1 (0.53) DEGS1FFAR1FFAR4MAPTALDH1A1
SCHEMBL8574566 0.79 SPHK1 (0.53) DEGS1FFAR1FFAR4MAPTALDH1A1
SCHEMBL1962550 0.79 SPHK1 (0.53) DEGS1FFAR1FFAR4MAPTALDH1A1

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-4189420-A AND A POLYBUTENE AND MIXED GLYCERIDE, FOOD PACKAGING MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US claimed
US-4189420-A AND A POLYBUTENE AND MIXED GLYCERIDE, FOOD PACKAGING MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US disclosed
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