SCHEMBL7550435

SCHEMBL7550435

CC(C)CC(C[PH](=O)OCCc1ccc(NC(=O)c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ PPARA Q07869 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
SCHEMBL7506441 0.89 PPARA (0.47) MEN1KMT2AKDM4EPOLBDUSP3
SCHEMBL7507986 0.86 HSD17B10 (0.41) HSD17B10CTSKALDH1A1
SCHEMBL7500022 0.85 NPC1 (0.43) NPC1RAB9AHSD17B10CTSK
SCHEMBL7602074 0.79 PPARA (0.45) POLBPPARA
SCHEMBL7550430 0.76 MEN1 (0.46) MEN1KMT2AKDM4EPOLBDUSP3
SCHEMBL7550427 0.76 MEN1 (0.45) MEN1KMT2AKDM4EPOLBDUSP3
SCHEMBL7546570 0.75 MMP1 (0.39) PPARA
SCHEMBL9503074 0.74 HSD17B10 (0.47) HSD17B10CTSKALDH1A1
SCHEMBL9506271 0.74 HSD17B10 (0.49) HSD17B10CTSKALDH1A1
SCHEMBL7505198 0.74 HSD17B10 (0.49) HSD17B10CTSKALDH1A1

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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