SCHEMBL8319042

SCHEMBL8319042

CCOC(=O)c1ccc2c(c1)CC(C)(OS(=O)(=O)C(F)(F)F)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
ALPG P10696 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK2 Q15119 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL2811130 0.78 CA12 (0.48) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL7632372 0.72 ALDH1A1 (0.39) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL31026771 0.71 COXFA4 (0.50) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL6210404 0.71 COXFA4 (0.50) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL227343 0.69 RAB9A (0.50) MAPTALDH1A1RECQLSMN1; SMN2CA12
SCHEMBL17888591 0.68 SMN1; SMN2 (0.43) ALDH1A1RECQLALOX15SMN1; SMN2CA12
SCHEMBL1602359 0.68 RAB9A (0.49) ALDH1A1RECQLSMN1; SMN2CA12CA1
SCHEMBL13537289 0.68 NPC1 (0.49) ALDH1A1RECQLALOX15SMN1; SMN2CA12
SCHEMBL31058820 0.68 RAB9A (0.49) ALDH1A1RECQLSMN1; SMN2CA12CA1
SCHEMBL17276324 0.67 PDK2 (0.40) MAPTALDH1A1RECQLSMN1; SMN2CA12

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-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed