SCHEMBL7022958

SCHEMBL7022958

CC(C)CNS(=O)(=O)c1ccc2c(c1)C(C(=O)O)CC(C(F)(F)F)O2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7174724 0.84 ALDH1A1 (0.49) GAAHPGDMEN1KMT2ALMNA
SCHEMBL6406107 0.74 GAA (0.47) GAAHPGDMEN1KMT2ALMNA
SCHEMBL6406859 0.74 GAA (0.47) GAAHPGDMEN1KMT2ALMNA
SCHEMBL7018582 0.72 HCRTR2 (0.36) MEN1KMT2A
SCHEMBL214284 0.71 PTGS2 (0.57)
SCHEMBL29527405 0.71 PTGS2 (0.57)
SCHEMBL6095071 0.71 PTGS2 (0.57)
SCHEMBL7100609 0.71 CYP11B1 (0.31)
SCHEMBL7148454 0.69 PDK1 (0.45) GAAHPGDMEN1KMT2ALMNA
SCHEMBL7019518 0.69 GRM2 (0.36) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO disclosed