SCHEMBL7550430

SCHEMBL7550430

CC(C)CC(C(=O)OCc1ccccc1)C(OCCc1ccc(NC(=O)c2ccccc2)cc1)[PH2]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ PPARA Q07869 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CTSK P43235 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL7550427 0.86 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7550435 0.76 MEN1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7550424 0.72 NPC1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16672548 0.70 ALDH1A1 (0.51) KMT2ASMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL18732578 0.68 ALDH1A1 (0.53) KMT2ATDP1CTSKALDH1A1
SCHEMBL7506441 0.68 PPARA (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9372689 0.67 NPC1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18775039 0.67 CTSK (0.63) MEN1KMT2ANPC1GAACTSK
SCHEMBL18790940 0.67 CTSK (0.63) MEN1KMT2ANPC1GAACTSK
SCHEMBL16672666 0.66 HCAR2 (0.46) SMN1; SMN2NPC1RAB9ATDP1CTSK

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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