SCHEMBL9748755

SCHEMBL9748755

CCOC(=O)COc1ccccc1Cc1ccc2ccccc2c1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR9 Q9NR96 1/20 0.50
PDE10A Q9Y233 3/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL10046762 0.80 CASP3 (0.46) CASP3CASP7CASP9ALDH1A1LMNA
SCHEMBL31520212 0.79 TSHR (0.67) CASP3CASP7CASP9MITFALDH1A1
SCHEMBL11490448 0.79 TSHR (0.67) CASP3CASP7CASP9MITFALDH1A1
SCHEMBL14193732 0.78 USP2 (0.52) CASP3CASP7CASP9ALDH1A1LMNA
SCHEMBL15550746 0.78 CYP4F2 (0.58) CASP3CASP7CASP9ALDH1A1LMNA
SCHEMBL9748638 0.78 CDC25B (0.56) ALDH1A1TSHR
SCHEMBL3259595 0.77 USP2 (0.60) CASP3CASP7CASP9ALDH1A1LMNA
SCHEMBL22610045 0.77 ALDH1A1 (0.61) CASP3CASP7CASP9MITFALDH1A1
SCHEMBL29485630 0.77 ALDH1A1 (0.61) CASP3CASP7CASP9MITFALDH1A1
SCHEMBL9614835 0.76 CYP4F2 (0.60) LMNA

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