SCHEMBL9827652

SCHEMBL9827652

Cc1cc(O)cc(C=O)c1.Cc1cc(O)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
TYR P14679 3/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TTR P02766 2/20 0.38
SYNJ2 O15056 1/20 0.38
CYP1A1 P04798 1/20 0.38
BCHE P06276 1/20 0.38
MMP2 P08253 1/20 0.38
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CHRNA7 P36544 1/20 0.36
TSHR P16473 1/20 0.36
SRC P12931 2/20 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
SCHEMBL29708014 0.84 ALDH1A1 (0.48) ERN1TYRTRIM24TRIM33ALDH5A1
SCHEMBL96219 0.84 ALDH1A1 (0.48) ERN1TYRTRIM24TRIM33ALDH5A1
SCHEMBL1619002 0.82 ALDH1A1 (0.55) ERN1TRIM24TRIM33ALDH5A1ABAT
SCHEMBL29955888 0.82 ALDH1A1 (0.55) ERN1TRIM24TRIM33ALDH5A1ABAT
4-Hydroxybenzaldehyde SCHEMBL7010903 0.82 TRIM24 (0.39) ERN1TYRTRIM24TRIM33ALDH5A1
SCHEMBL10532733 0.75 CA1 (0.45) ERN1TYRTRIM24TRIM33ALDH5A1
SCHEMBL823127 0.70 ALDH1A1 (0.50) TYRTRIM24TRIM33ALDH5A1ABAT
SCHEMBL4889825 0.70 ERN1 (0.50) ERN1TYRTRIM24TRIM33ALDH1A1
SCHEMBL13568536 0.69 ALDH5A1 (0.48) ERN1TRIM24TRIM33ALDH5A1ABAT
SCHEMBL3429032 0.69 ALDH1A1 (0.48) ERN1TYRTRIM24TRIM33ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed