SCHEMBL9506199

SCHEMBL9506199

COP(=O)(C[C@@H](CC(C)C)C(=O)O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PLIN5 Q00G26 1/20 0.40
▸ ABHD5 Q8WTS1 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MMP3 P08254 7/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ LAP3 P28838 1/20 0.37
▸ MMP2 P08253 4/20 0.37

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
SCHEMBL9506194 1.00 ELANE (0.43) ELANEALDH1A1MAPTPLIN1HPGD
SCHEMBL9504428 0.88 ELANE (0.42) ELANE
SCHEMBL9504413 0.88 ELANE (0.42) ELANE
SCHEMBL9505017 0.87 HSD17B10 (0.48) ELANEACE2MMP3MMP1
SCHEMBL9505028 0.87 HSD17B10 (0.48) ELANEACE2MMP3MMP1
SCHEMBL9503909 0.77 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL9503917 0.77 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL9503094 0.76 HSD17B10 (0.52) ELANEACE2MMP3MMP1
SCHEMBL9503103 0.76 HSD17B10 (0.52) ELANEACE2MMP3MMP1
SCHEMBL9504948 0.74 MMP1 (0.44) MMP3MMP1MMP2

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-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 — — EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 — — US 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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