SCHEMBL21861794

SCHEMBL21861794

C=C(O)CC(=O)N(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.45
▸ HSD17B2 P37059 3/20 0.45
▸ AOC3 Q16853 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.41
▸ POLQ O75417 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL12362493 0.88 HSD17B1 (0.47) HSD17B1HSD17B2AOC3ALDH1A1POLQ
SCHEMBL12362494 0.80 TP53 (0.57) HSD17B1HSD17B2AOC3ALDH1A1KMT2A
SCHEMBL1760632 0.74 KMT2A (0.58) ALDH1A1POLQKMT2A
SCHEMBL23570956 0.73 HSD17B2 (0.40) HSD17B1HSD17B2AOC3
SCHEMBL5175586 0.72 POLQ (0.49) ALDH1A1POLQKMT2A
SCHEMBL222344 0.72 FASN (0.47) ALDH1A1POLQKMT2A
SCHEMBL4979577 0.72 HSD17B1 (0.49) HSD17B1HSD17B2HDAC8
SCHEMBL28392160 0.72 HSD17B2 (0.47) HSD17B1HSD17B2AOC3KMT2A
SCHEMBL9456006 0.71 FFAR1 (0.46) HSD17B1HSD17B2AOC3ALDH1A1
SCHEMBL307215 0.71 KMT2A (0.54) ALDH1A1POLQKMT2A

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-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 — — EP disclosed
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