SCHEMBL22868119

SCHEMBL22868119

CCc1sc2cc(C)ccc2c1NC(=O)c1ccc(C)[nH]c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 7/20 0.76
▸ HSD17B1 P14061 4/20 0.76
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ BCL2L1 Q07817 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
SCHEMBL22868116 0.92 HSD17B2 (0.77) HSD17B2HSD17B1RAB9ANPC1MAPT
SCHEMBL22867215 0.87 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL22867228 0.79 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL29582435 0.79 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL22868117 0.78 HSD17B2 (0.48) HSD17B2HSD17B1RAB9AMAPTKDM4E
SCHEMBL8438099 0.69 HSD17B1 (0.47) HSD17B2HSD17B1RAB9ANPC1MAPT
SCHEMBL22867218 0.65 HSD17B2 (0.67) HSD17B2HSD17B1
SCHEMBL22868072 0.63 HSD17B1 (0.55) HSD17B2HSD17B1RAB9ANPC1MAPT
SCHEMBL29581347 0.63 HSD17B1 (0.55) HSD17B2HSD17B1RAB9ANPC1MAPT
SCHEMBL11120767 0.61 SPR (0.49) RAB9AMAPTLMNAGAAKDM4E

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
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 — — WO disclosed
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