SCHEMBL7568933

SCHEMBL7568933

COC(=O)c1cc2cc(O)c(O)cc2cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.60
EGFR P00533 2/20 0.53
MAPK1 P28482 3/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
UBE2N P61088 1/20 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
Hydrochloric Acid SCHEMBL7568925 0.98 LCK (0.59) LCKEGFRMAPK1GABRPGABRD
SCHEMBL1203087 0.84 LCK (0.51) LCKMAPK1GABRPGABRDGABRA1
SCHEMBL31649860 0.84 LCK (0.51) LCKEGFRMAPK1GABRPGABRD
SCHEMBL5917841 0.83 LCK (0.57) LCKMAPK1GABRPGABRDGABRA1
SCHEMBL30567634 0.83 LCK (0.57) LCKMAPK1GABRPGABRDGABRA1
SCHEMBL546168 0.81 LCK (0.60) LCKEGFRMAPK1GABRPGABRD
SCHEMBL1535240 0.81 LCK (0.60) LCKEGFRMAPK1GABRPGABRD
SCHEMBL31403543 0.81 LCK (0.51) LCKMAPK1GABRPGABRDGABRA1
SCHEMBL29840564 0.79 LCK (0.56) LCKMAPK1GABRPGABRDGABRA1
SCHEMBL214090 0.79 LCK (0.56) LCKMAPK1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809493-B1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS US HEALTH (US) 2002-09-11 EP disclosed
EP-0809493-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-03 EP disclosed
US-5610185-A Method for the treatment of hyperproliferative epithelial skin diseases by topical application of hydroxylated aromatic protein cross-linking compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-11 US disclosed
WO-1996025159-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 WO disclosed