SCHEMBL23797019

SCHEMBL23797019

COC(=O)C(C=O)CC(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41

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
SCHEMBL19660155 0.86 HDAC8 (0.50) L3MBTL1KMT2ANPC1TDP1MAPT
SCHEMBL22728863 0.81 ALOX15 (0.47) L3MBTL1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22728769 0.80 HDAC3 (0.44) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19659999 0.80 L3MBTL1 (0.60) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL29041191 0.80 KMT2A (0.72) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL19660209 0.77 GSK3B (0.52) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL29041217 0.75 KMT2A (0.84) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL9545966 0.75 KMT2A (0.59) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL14312145 0.75 GSK3B (0.50) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL29041235 0.74 KMT2A (0.62) L3MBTL1KMT2ANPC1RAB9AMEN1

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-3464248-B1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma AG (DE) 2021-09-08 — — EP disclosed
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