SCHEMBL9243534

SCHEMBL9243534

CCCCP(=O)(O)CC(CC1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCLC P48506 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MMP1 P03956 4/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ GABBR2 O75899 1/20 0.36
▸ GABRR1 P24046 1/20 0.36
▸ GABBR1 Q9UBS5 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL9247581 0.95 ALDH1A1 (0.44) GCLCALDH1A1KMT2AMMP1MMP13
SCHEMBL9248326 0.95 ALDH1A1 (0.44) GCLCALDH1A1KMT2AMMP1MMP13
SCHEMBL9244187 0.85 MMP1 (0.41) GCLCALDH1A1KMT2AMMP1MMP13
SCHEMBL9244602 0.81 LTA4H (0.43) MMP1MMP13LTA4H
SCHEMBL9647093 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMETAP2
SCHEMBL7382758 0.77 CA2 (0.53) ALDH1A1KMT2ALTA4HMETAP2PPARG
SCHEMBL9246018 0.77 LTA4H (0.44) MMP1MMP13LTA4H
SCHEMBL8737263 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ALTA4HMETAP2PPARG
SCHEMBL8735264 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ALTA4HMETAP2PPARG
SCHEMBL28807909 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ALTA4HMETAP2PPARG

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 5 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 claimed
EP-0347840-A2 Phosphinic acid derivates BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-27 — — EP claimed
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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