SCHEMBL9614832

SCHEMBL9614832

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
TOP2A P11388 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
AHR P35869 1/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
PRNP P04156 1/20 0.41
POLB P06746 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
SCHEMBL9614833 1.00 TNF (0.44) TNFTOP2AMAPTALDH1A1KDM4E
SCHEMBL9750303 0.88 ALDH1A1 (0.45) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL9750296 0.88 ALDH1A1 (0.45) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL9749139 0.81 LDHA (0.45) ALDH1A1KDM4EHPGD
SCHEMBL9749134 0.81 LDHA (0.45) ALDH1A1KDM4EHPGD
SCHEMBL9614845 0.79 CYP3A4 (0.50) MAPTKDM4EKMT2AMEN1
SCHEMBL9614843 0.79 CYP3A4 (0.50) MAPTKDM4EKMT2AMEN1
Phenanthrene SCHEMBL7956477 0.77 TNF (0.50) TNFTOP2AMAPTALDH1A1KDM4E
SCHEMBL1007836 0.77 CYP3A4 (0.54) TNFTOP2AALDH1A1TDP1CYP4F2
SCHEMBL4299304 0.77 CYP3A4 (0.54) TNFTOP2AALDH1A1TDP1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493404-A4 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION 1992-08-12 EP claimed
EP-0493404-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-08 EP claimed
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP claimed
US-5091379-A Dermatitis, side effect reduction DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-25 US claimed
WO-1991003227-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO claimed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP claimed
EP-0493404-A4 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION 1992-08-12 EP disclosed
EP-0493404-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-07-08 EP disclosed
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP disclosed
US-5091379-A Dermatitis, side effect reduction DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-02-25 US disclosed
US-5026759-A Antiinflammatory agents respiratory system disorders DU PONT MERCK PHARMACEUTICAL (US) 1991-06-25 US disclosed
WO-1991003227-A1 TOPICAL ANTIINFLAMMATORY COMPOSITIONS WITH MINIMAL SYSTEMIC ABSORPTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO 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