SCHEMBL11802256

SCHEMBL11802256

C=C(C)C(=O)Oc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 4/20 0.56
PKM P14618 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
MAPK1 P28482 1/20 0.50
PLIN1 O60240 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50

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
SCHEMBL498265 0.88 ALDH1A1 (0.69) MAPTLMNAALDH1A1PKMHTT
SCHEMBL11802251 0.85 MAPT (0.62) MAPTLMNAALDH1A1PKMHTT
SCHEMBL11459016 0.85 ALDH1A1 (0.58) MAPTLMNAALDH1A1PKMHTT
SCHEMBL10375546 0.84 GAA (0.73) MAPTLMNAALDH1A1PKMHTT
SCHEMBL10375547 0.84 GAA (0.73) MAPTLMNAALDH1A1PKMHTT
SCHEMBL11825001 0.82 ALDH1A1 (0.64) MAPTLMNAALDH1A1PKMHTT
SCHEMBL11824995 0.82 ALDH1A1 (0.64) MAPTLMNAALDH1A1PKMHTT
SCHEMBL9623272 0.81 MAPT (0.50) MAPTLMNAALDH1A1PKMHTT
SCHEMBL9170930 0.81 MAPT (0.61) MAPTLMNAALDH1A1PKMHTT
SCHEMBL934307 0.80 MAPT (0.70) MAPTLMNAALDH1A1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3943094-A Polymers and copolymers based on alkenoyl-oxybenzylidene-malonic esters as UV-absorbers and polymers stabilized therewith BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US disclosed