SCHEMBL22996579

SCHEMBL22996579

CCCCOc1ccc(/C=C(\C#N)C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(O)/C(C#N)=C/c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DNM1 Q05193 1/20 0.35

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
SCHEMBL21793545 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL20827817 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL24145942 0.87 THRB (0.37) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL24559363 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL23312793 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL21707405 0.81 POLB (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL21901652 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL21707475 0.80 DNM1 (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL22148385 0.78 THRB (0.41) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL24475964 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA

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-3778248-A1 IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2021-02-17 — — EP disclosed
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