SCHEMBL7500022

SCHEMBL7500022

CC(C)CC(C[PH](=O)OCCc1ccc(N)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ CA5A P35218 1/20 0.39
▸ CTSK P43235 2/20 0.38
▸ IL1RN P18510 2/20 0.36
▸ ERAP2 Q6P179 2/20 0.36
▸ ERAP1 Q9NZ08 2/20 0.36

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
SCHEMBL7507986 0.92 HSD17B10 (0.41) HSD17B10CTSBCA5ACTSK
SCHEMBL7550435 0.85 MEN1 (0.45) NPC1RAB9AHSD17B10CTSK
SCHEMBL7602074 0.84 PPARA (0.45) —
SCHEMBL7546570 0.81 MMP1 (0.39) IL1RNERAP2ERAP1
SCHEMBL9503074 0.80 HSD17B10 (0.47) HSD17B10CTSBCTSK
SCHEMBL9506271 0.80 HSD17B10 (0.49) HSD17B10CTSBCTSK
SCHEMBL7505198 0.80 HSD17B10 (0.49) HSD17B10CTSBCTSK
SCHEMBL7548309 0.76 MMP1 (0.33) IL1RNERAP2ERAP1
SCHEMBL7506441 0.72 PPARA (0.47) NPC1RAB9A
SCHEMBL7500014 0.72 HSD17B10 (0.50) HSD17B10CTSBIL1RNERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923585-B1 PHOSPHINATE BASED INHIBITORS OF MATRIX METALLOPROTEASES PFIZER (US) 2002-05-08 — — EP disclosed
US-6147061-A ANTIARTHRITIC AGENTS; ANTICANCER AGENTS; ORAL DISEASES PFIZER INC. (US) 2000-11-14 — — US disclosed
EP-0923585-A1 PHOSPHINATE BASED INHIBITORS OF MATRIX METALLOPROTEASES PFIZER INC. (US) 1999-06-23 — — EP disclosed
WO-1998003516-A1 PHOSPHINATE BASED INHIBITORS OF MATRIX METALLOPROTEASES PFIZER INC. (US) 1998-01-29 — — WO disclosed
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