SCHEMBL9812685

SCHEMBL9812685

CCc1c(CC)c(OC)c2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
SLC2A1 P11166 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ERN1 O75460 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.37
VKORC1 Q9BQB6 1/20 0.35
HPGD P15428 1/20 0.35
CETP P11597 1/20 0.35
CYP2C19 P33261 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL9656088 0.87 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL9628418 0.79 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL6917217 0.78 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1PDE4DCYP1A2
SCHEMBL18950744 0.78 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2MAPK1PDE4A
SCHEMBL9812680 0.77 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL11036361 0.77 MCL1 (0.35) KDM4EALDH1A1SMN1; SMN2MAPK1PDE4A
SCHEMBL9657122 0.76 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1PDE4A
SCHEMBL9627705 0.76 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL9629454 0.76 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL9628130 0.76 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 EP claimed
US-4737519-A Substituted naphthalenes, indoles, benzofurans, and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1988-04-12 US claimed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 EP claimed
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 EP disclosed
US-4849442-A Method for treating or preventing deep vein thrombosis using lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1989-07-18 US disclosed
US-4849445-A Method for treating or preventing deep vein thrombosis using lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1989-07-18 US disclosed
US-4791138-A SUBSTITUTED NAPHTHALENES THE UPJOHN COMPANY (US) 1988-12-13 US disclosed
US-4737519-A Substituted naphthalenes, indoles, benzofurans, and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1988-04-12 US disclosed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 EP disclosed