SCHEMBL10824977

SCHEMBL10824977

CC(=O)C(CCCCCCCCCCCC(O)C(O)CO)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ SPHK1 Q9NYA1 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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 1.00 CYP2D6 (0.38) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL11460642 0.89 DEGS1 (0.40) CYP2D6LMNATP53CYP1A2CYP3A4
SCHEMBL10565850 0.82 GPR84 (0.37) MAPTTRPV1NOS2GPR84FFAR1
SCHEMBL11469540 0.80 CYP2D6 (0.40) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL11458810 0.79 PAOX (0.45) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL9435748 0.79 PAOX (0.45) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL11452026 0.79 PAOX (0.45) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL6542747 0.78 GPR84 (0.39) LMNAKDM4EMAPTMEN1KMT2A
Bicarbonate SCHEMBL28197390 0.75 CYP2D6 (0.57) CYP2D6SPHK1GMNNLMNAPOLB
SCHEMBL12198630 0.74 ALDH1A1 (0.39) CYP2D6SPHK1GMNNLMNAPOLB

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 4 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
JP-61163947-A — — None — — JP disclosed
JP-S61163947-A PRODUCTION OF SELF-ADHESIVE POLYETHYLENE FILM MITSUBISHI CHEM IND LTD 1986-07-24 — — JP disclosed
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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