SCHEMBL7567274

SCHEMBL7567274

COc1cc2ccc(C(N)=O)cc2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
MAPK1 P28482 1/20 0.58
PLAU P00749 3/20 0.56
PARP1 P09874 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PARP10 Q53GL7 2/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
PLAT P00750 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52

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
SCHEMBL5695654 0.90 LCK (0.54) LCKMAPK1PLAUPARP1CA1
SCHEMBL5695739 0.85 LCK (0.49) LCKMAPK1PLAUPARP1CA1
SCHEMBL29415167 0.84 MAPK1 (0.77) MAPK1PARP1CA1CA2PARP10
SCHEMBL335681 0.84 MAPK1 (0.77) MAPK1PARP1CA1CA2PARP10
SCHEMBL4946900 0.83 KDM4E (0.70) MAPK1CA1CA2CYP1A2CYP3A4
SCHEMBL8742377 0.83 CYP2A6 (0.56) CA1CA2CYP1A2CYP3A4CYP2C9
SCHEMBL9702109 0.83 KDM4E (0.70) LCKPLAUPARP1CA1CA2
Hydrochloric Acid SCHEMBL5154533 0.82 MAPK1 (0.74) MAPK1PARP1CA1CA2PARP10
SCHEMBL2363489 0.82 LCK (0.78) LCKPLAUPARP1CA1CA2
SCHEMBL6348501 0.81 KDM4E (0.49) PLAUCA1CA2CYP1A2CYP3A4

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-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
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed