SCHEMBL20764824

SCHEMBL20764824

Cc1cc(-c2ccccc2)sc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 8/20 0.47
▸ LPL P06858 7/20 0.47
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ MAPT P10636 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ LAP3 P28838 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PRF1 P14222 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12892633 0.78 LPL (0.32) LIPGLPL
SCHEMBL15441588 0.76 LPL (0.36) LIPGLPL
SCHEMBL6225264 0.76 LIPG (0.51) LIPGLPLHSD17B1HSD17B2NPC1
SCHEMBL16373588 0.74 LPL (0.32) LIPGLPL
SCHEMBL25896361 0.72 LIPG (0.47) LIPGLPLMAPTNPC1MEN1
SCHEMBL1758541 0.71 LPL (0.46) LIPGLPLMAPTNPC1KMT2A
SCHEMBL26109871 0.71 LIPG (0.46) LIPGLPLMAPTANPEPLAP3
SCHEMBL20079509 0.70 LIPG (0.41) LIPGLPLANPEPLAP3
SCHEMBL20983994 0.69 LIPG (0.63) LIPGLPLHSD17B1HSD17B2ESR1
SCHEMBL22299971 0.69 LIPG (0.47) LIPGLPLHSD17B1MAPTNPC1

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-2019038362-A1 ANTIBACTERIAL PYRROLOIMIDAZOLONES IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-28 — — WO disclosed
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