SCHEMBL9807765

SCHEMBL9807765

CCOP(=O)(CC(C)C)CC(CC1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CPN1 P15169 2/20 0.35
▸ CPB2 Q96IY4 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CTSK P43235 5/20 0.33
▸ REN P00797 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSL P07711 2/20 0.32
▸ CTSB P07858 2/20 0.32

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
SCHEMBL9246196 0.88 MMP1 (0.36) LTA4HMMP1MMP2CTSKREN
SCHEMBL9244602 0.79 LTA4H (0.43) LTA4HMMP1CPN1CPB2
SCHEMBL9242478 0.77 MMP1 (0.38) LTA4HMMP1MMP2ATMCTSK
SCHEMBL7049015 0.76 MMP1 (0.37) LTA4HMMP1MMP2ATMCTSK
SCHEMBL9244187 0.75 MMP1 (0.41) LTA4HMMP1CPN1CPB2ATM
SCHEMBL9246018 0.75 LTA4H (0.44) LTA4HMMP1MMP2CPN1CPB2
SCHEMBL9246101 0.72 ALDH1A1 (0.41) MMP1MMP2CTSKALDH1A1KMT2A
SCHEMBL9241532 0.72 ALDH1A1 (0.41) MMP1MMP2CTSKALDH1A1KMT2A
SCHEMBL13711848 0.71 ATM (0.50) LTA4HCPN1CPB2SMN1; SMN2ATM
SCHEMBL2484332 0.71 ATM (0.50) LTA4HCPN1CPB2SMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988681-A Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 — — US disclosed
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