SCHEMBL20382492

SCHEMBL20382492

C=C(N)CCCCC(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ CTNNB1 P35222 1/20 0.49
▸ WNT3A P56704 1/20 0.49
▸ GSK3B P49841 1/20 0.48
▸ HSD17B3 P37058 7/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PAX8 Q06710 1/20 0.45

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
SCHEMBL9419411 0.87 KMT2A (0.69) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL8402203 0.85 KMT2A (0.67) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL2325662 0.83 KMT2A (0.60) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL29087029 0.81 KMT2A (0.58) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL10881407 0.81 KMT2A (0.58) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL13493042 0.80 HDAC8 (0.64) KMT2AGSK3BNPC1RAB9AL3MBTL1
SCHEMBL9125496 0.80 KMT2A (0.56) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL10792888 0.79 KMT2A (0.60) KMT2ACTNNB1WNT3AGSK3BHSD17B3
SCHEMBL8525199 0.79 HSD17B3 (0.72) KMT2AGSK3BHSD17B3L3MBTL1TDP1
SCHEMBL5849125 0.79 KMT2A (0.78) KMT2AGSK3BHSD17B3NPC1RAB9A

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-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 — — EP disclosed
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