SCHEMBL9749199

SCHEMBL9749199

COc1c(CC2CCCCC2)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.40
ACP3 P15309 2/20 0.40
EPHX1 P07099 1/20 0.39
ATM Q13315 2/20 0.39
BCHE P06276 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A2 Q05940 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CEL P19835 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9749260 0.81 KDM4E (0.43) HPGDEPHX1PRMT5WDR77ALDH1A1
SCHEMBL8814573 0.77 ALDH1A1 (0.48) HPGDPRMT5WDR77ALDH1A1MAPT
SCHEMBL9749544 0.76 GAA (0.53) ALDH1A1MAPTKDM4ECYP1A2CYP2D6
SCHEMBL3247871 0.75 ATM (0.58) HPGDEPHX1ATMBCHEALDH1A1
SCHEMBL5963023 0.75 ALDH1A1 (0.46) HPGDPRMT5WDR77ALDH1A1MAPT
SCHEMBL14064624 0.75 KDM4E (0.46) HPGDATMALDH1A1MAPTKDM4E
SCHEMBL30490817 0.75 KDM4E (0.46) HPGDATMALDH1A1MAPTKDM4E
SCHEMBL7446272 0.75 KDM4E (0.46) HTTATMBCHEALDH1A1MAPT
SCHEMBL694845 0.75 BCHE (0.45) HTTBCHEPRMT5WDR77ALDH1A1
SCHEMBL8409905 0.74 ALDH1A1 (0.45) HPGDPRMT5WDR77ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP disclosed