SCHEMBL11318018

SCHEMBL11318018

CC(C)C(/C=C/c1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.54
▸ MAOB P27338 9/20 0.50
▸ P4HB P07237 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAOA P21397 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ NFE2L2 Q16236 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL11318022 1.00 NFKB1 (0.54) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11318023 1.00 NFKB1 (0.54) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11390679 0.87 ALDH1A1 (0.39) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11390672 0.87 ALDH1A1 (0.39) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11390669 0.87 ALDH1A1 (0.39) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11316938 0.80 NFE2L2 (0.47) MAOBMAPTNFE2L2SMN1; SMN2
SCHEMBL11316941 0.80 NFE2L2 (0.47) MAOBMAPTNFE2L2SMN1; SMN2
SCHEMBL11316940 0.80 NFE2L2 (0.47) MAOBMAPTNFE2L2SMN1; SMN2
SCHEMBL9967712 0.77 NFKB1 (0.53) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL11311798 0.77 MAPT (0.45) NFKB1MAOBLMNAMAPTMEN1

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-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 — — US disclosed
US-4248875-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-02-03 — — US disclosed
US-4229368-A Esters and thiolesters of unsaturated acids ZOECON CORPORATION (US) 1980-10-21 — — US disclosed
US-4204071-A 4-Aryl-3-butenoic acids and lower alkyl esters ZOECON CORPORATION (US) 1980-05-20 — — US disclosed
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