SCHEMBL8874785

SCHEMBL8874785

CC(C)CC(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.47
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTR2A P28223 1/20 0.42
P2RX7 Q99572 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8874777 1.00 CTSL (0.47) CTSLITGA4ITGB7ALDH1A1L3MBTL1
SCHEMBL8873387 0.87 ITGA4 (0.52) CTSLITGA4ITGB7ALDH1A1L3MBTL1
SCHEMBL8873376 0.87 ITGA4 (0.52) CTSLITGA4ITGB7ALDH1A1L3MBTL1
SCHEMBL25308058 0.83 POLB (0.46) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL30507546 0.83 POLB (0.46) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL25308059 0.83 POLB (0.46) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL8875245 0.83 MMP9 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL29038084 0.83 MMP9 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8875251 0.83 MMP9 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8873243 0.80 TDP1 (0.41) ITGA4ITGB7ALDH1A1L3MBTL1RAB9A

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-5610153-A ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA CIBA-GEIGY CORPORATION (US) 1997-03-11 US disclosed