SCHEMBL19721686

SCHEMBL19721686

CC(C)(O)CCOC(C)(C)CCNC(=O)c1cc2ccccc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ HSD17B10 Q99714 6/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ MAOB P27338 6/20 0.58
▸ NPC1 O15118 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAOA P21397 2/20 0.55
▸ AKR1B10 O60218 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52

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
SCHEMBL19828501 0.87 KDM4E (0.58) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19721687 0.85 KDM4E (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14346006 0.77 MAOB (0.76) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3045340 0.75 MAOB (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7511318 0.75 KDM4E (0.73) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14580489 0.75 KDM4E (0.73) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15892984 0.75 MAOB (1.00) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15058644 0.74 MAOB (0.73) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL76133 0.74 MAOB (0.75) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10047718 0.74 MAOB (0.68) KDM4EALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3276349-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2019-08-07 — — EP disclosed
EP-3029461-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2017-12-20 — — EP disclosed
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