SCHEMBL8622116

SCHEMBL8622116

CC(C)C[C@@H](C(=O)O)C(OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSK P43235 7/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CTSL P07711 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
PSMB5 P28074 1/20 0.43

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
SCHEMBL8622114 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6946515 0.90 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6946518 0.90 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8624004 0.85 CTSK (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8624003 0.85 CTSK (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6654265 0.84 ALDH1A1 (0.50) KMT2ACTSKCTSSCTSBALDH1A1
SCHEMBL9807069 0.84 ALDH1A1 (0.50) KMT2ACTSKCTSSCTSBALDH1A1
SCHEMBL9807067 0.84 ALDH1A1 (0.50) KMT2ACTSKCTSSCTSBALDH1A1
SCHEMBL9327734 0.84 ALDH1A1 (0.50) KMT2ACTSKCTSSCTSBALDH1A1
SCHEMBL4634087 0.84 ALDH1A1 (0.50) KMT2ACTSKCTSSCTSBALDH1A1

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-0712838-B1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD (JP) 1998-11-04 EP disclosed
US-5795891-A RHEUMATOID ARTHRITIS, OSTEOPOROSIS, HYPERCALCEMIA KANEBO LTD. (JP) 1998-08-18 US disclosed
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed