SCHEMBL9246018

SCHEMBL9246018

CC(C)P(=O)(O)CC(CC1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ ANPEP P15144 3/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ ERAP2 Q6P179 2/20 0.38
▸ CPN1 P15169 2/20 0.37
▸ CPB2 Q96IY4 2/20 0.37
▸ DPEP1 P16444 2/20 0.37
▸ MMP1 P03956 3/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ CA9 Q16790 1/20 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
SCHEMBL9646994 0.83 DPEP1 (0.49) ANPEPLAP3ERAP2DPEP1
SCHEMBL9244602 0.83 LTA4H (0.43) LTA4HANPEPLAP3CPN1CPB2
SCHEMBL9244187 0.81 MMP1 (0.41) LTA4HCPN1CPB2MMP1MMP13
SCHEMBL9647220 0.77 ANPEP (0.65) ANPEPLAP3ERAP2DPEP1
SCHEMBL9647093 0.77 ALDH1A1 (0.47) ANPEPLAP3ERAP2DPEP1
SCHEMBL8871986 0.77 CPN1 (0.50) LTA4HCPN1CPB2MMP2MMP9
SCHEMBL9243534 0.77 GCLC (0.41) LTA4HMMP1MMP13
SCHEMBL9242284 0.77 LTA4H (0.38) LTA4HCPN1CPB2DPEP1MMP1
SCHEMBL15203782 0.75 CPN1 (0.48) LTA4HCPN1CPB2MMP2MMP9
SCHEMBL9248326 0.75 ALDH1A1 (0.44) LTA4HMMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347840-B1 Phosphinic acid derivates BANYU PHARMA CO LTD (JP) 1995-12-27 — — EP disclosed
US-4988681-A Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 — — US disclosed
EP-0347840-A2 Phosphinic acid derivates BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-27 — — EP disclosed
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