SCHEMBL9750296

SCHEMBL9750296

CCOC(=O)C/C=C/c1ccc2ccccc2c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
AHR P35869 1/20 0.45
HPGD P15428 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRNP P04156 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
TLR9 Q9NR96 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL9750303 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9614832 0.88 TNF (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9614833 0.88 TNF (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9614845 0.82 CYP3A4 (0.50) MAPTMEN1KMT2AKDM4ECYP1B1
SCHEMBL9614843 0.82 CYP3A4 (0.50) MAPTMEN1KMT2AKDM4ECYP1B1
SCHEMBL27799082 0.76 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10891882 0.75 PAM (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10891880 0.75 PAM (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28566878 0.74 CNR2 (0.57) MAPTGAA
SCHEMBL9748807 0.74 GRIK1 (0.53) MAPTMEN1KMT2AKDM4EL3MBTL1

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