SCHEMBL7506441

SCHEMBL7506441

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 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
▸ TRPV1 Q8NER1 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ASF1A Q9Y294 1/20 0.42
▸ CCR5 P51681 2/20 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
SCHEMBL7550435 0.89 MEN1 (0.45) PPARAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7546570 0.83 MMP1 (0.39) PPARA
SCHEMBL7507986 0.73 HSD17B10 (0.41) ALDH1A1
SCHEMBL7500022 0.72 NPC1 (0.43) NPC1RAB9A
SCHEMBL7506431 0.72 NPC1 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9372689 0.70 NPC1 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7625201 0.69 CPA3 (0.54) SMN1; SMN2
SCHEMBL4173457 0.69 TRPV1 (0.72) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8185226 0.69 MEN1 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7539973 0.68 GRIA4 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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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