SCHEMBL9828698

SCHEMBL9828698

COC(=O)c1cccc(C(=O)c2ccc(O)cc2)c1.COC(=O)c1cccc(Cc2ccc(O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
P4HB P07237 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
SLC7A5 Q01650 1/20 0.47
HPGD P15428 2/20 0.46

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
SCHEMBL9829957 0.92 LOXL2 (0.62) LOXL2CYP4F2CYP4A11CD74MIF
SCHEMBL9828457 0.87 CA12 (0.63) LOXL2CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL2069334 0.81 LOXL2 (0.68) LOXL2CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL481432 0.80 CYP4F2 (0.65) LOXL2CYP4F2CYP4A11MAPTALDH1A1
Hydroquinone SCHEMBL28832812 0.80 LOXL2 (0.66) LOXL2CYP4F2CYP4A11CD74MIF
SCHEMBL2339850 0.80 TSHR (0.61) LOXL2CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL2515139 0.79 LOXL2 (0.60) LOXL2CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL480988 0.79 LOXL2 (0.60) LOXL2CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL23098254 0.78 ATM (0.61) ALDH1A1CA1CA2CA9LMNA
SCHEMBL10420734 0.78 LOXL2 (0.59) LOXL2CYP4F2CYP4A11CD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 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-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed