SCHEMBL9749260

SCHEMBL9749260

COc1c(COC2CCCCC2)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
EPHX1 P07099 2/20 0.40
HPGD P15428 1/20 0.39
QRFPR Q96P65 1/20 0.38
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR4 Q13639 1/20 0.36
SLC18A2 Q05940 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9749199 0.81 HPGD (0.42) KDM4EPRMT5WDR77EPHX1HPGD
SCHEMBL694845 0.74 BCHE (0.45) KDM4EL3MBTL1PRMT5WDR77ALDH1A1
SCHEMBL18615732 0.74 ABCB1 (0.47) KDM4EL3MBTL1QRFPRMAPTALDH1A1
SCHEMBL8814573 0.73 ALDH1A1 (0.48) KDM4EPRMT5WDR77HPGDMAPT
SCHEMBL4965091 0.73 KDM4E (0.46) KDM4EL3MBTL1PRMT5WDR77SLC6A2
SCHEMBL30490817 0.72 KDM4E (0.46) KDM4EHPGDMAPTALDH1A1
SCHEMBL5963023 0.72 ALDH1A1 (0.46) KDM4EPRMT5WDR77HPGDMAPT
SCHEMBL14064624 0.72 KDM4E (0.46) KDM4EHPGDMAPTALDH1A1
SCHEMBL6041838 0.71 ALDH1A1 (0.45) KDM4EPRMT5WDR77HPGDMAPT
SCHEMBL8409905 0.71 ALDH1A1 (0.45) KDM4EL3MBTL1PRMT5WDR77HPGD

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