SCHEMBL23797038

SCHEMBL23797038

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19660210 0.81 KMT2A (0.49) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL19660211 0.80 KMT2A (0.47) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL19642965 0.69 TSHR (0.46) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL3111391 0.68 LOXL2 (0.66) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL11986999 0.67 L3MBTL1 (0.48) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL11037686 0.66 MAPT (0.53) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL6844835 0.64 LOXL2 (0.59) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL13831355 0.64 RAB9A (0.39) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL10948186 0.63 CA1 (0.66) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL19659999 0.63 L3MBTL1 (0.60) KMT2AL3MBTL1MEN1NPC1ALDH1A1

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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