SCHEMBL6536005

SCHEMBL6536005

COc1cccc(-c2cccc(O)c2OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL7423016 0.90 CA1 (0.57) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL21815270 0.89 CA1 (0.55) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL186826 0.87 MAPT (0.67) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL196440 0.87 MGAM (0.55) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL3898449 0.85 MAPT (0.64) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL22291108 0.85 TP53 (0.64) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL3899924 0.85 MAPT (0.64) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL3889690 0.85 MAPT (0.64) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL16674078 0.83 CA1 (0.55) KDM4EALDH1A1TP53HSD17B10MAPT
SCHEMBL16196318 0.79 TP53 (0.68) KDM4EALDH1A1TP53HPGDHSD17B10

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-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed