SCHEMBL9503074

SCHEMBL9503074

CO[PH](=O)CC(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ CTSB P07858 2/20 0.46
▸ CTSK P43235 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ ACE2 Q9BYF1 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
SCHEMBL9506271 0.86 HSD17B10 (0.49) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL7505198 0.86 HSD17B10 (0.49) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL7400798 0.84 ALDH1A1 (0.44) ALDH1A1CTSL
SCHEMBL7507986 0.81 HSD17B10 (0.41) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL7500022 0.80 NPC1 (0.43) HSD17B10CTSBCTSK
SCHEMBL8048833 0.79 HSD17B10 (0.52) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL7355706 0.79 HSD17B10 (0.52) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL6576006 0.78 HSD17B10 (0.52) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL27556474 0.77 SLC15A1 (0.58) HSD17B10CTSBCTSKALDH1A1CTSS
SCHEMBL27556472 0.77 SLC15A1 (0.58) HSD17B10CTSBCTSKALDH1A1CTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 — — EP disclosed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 — — US disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 — — EP disclosed
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