SCHEMBL20053873

SCHEMBL20053873

COC(=O)c1ccc(CO/C(C)=C/C=C(/C#N)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ PKM P14618 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HTT P42858 5/20 0.40
▸ MITF O75030 1/20 0.39
▸ MEN1 O00255 2/20 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
SCHEMBL9967743 0.75 ALDH1A1 (0.55) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL23847807 0.74 SMN1; SMN2 (0.60) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL8888488 0.71 ALDH1A1 (0.64) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL23542725 0.69 SMN1; SMN2 (0.57) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL12764122 0.68 SMN1; SMN2 (0.56) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL19602392 0.67 SMN1; SMN2 (0.55) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL19602396 0.67 SMN1; SMN2 (0.55) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL12764117 0.67 SMN1; SMN2 (0.55) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL8823933 0.67 NPC1 (0.62) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL23771906 0.67 SMN1; SMN2 (0.71) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD

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
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 — — EP disclosed
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