SCHEMBL9749099

SCHEMBL9749099

CCOC(=O)C(CCCc1ccc2ccccc2c1OCc1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
SLC2A1 P11166 1/20 0.46
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
PTGER1 P34995 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MMP8 P22894 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9748985 0.83 CYP4F2 (0.54) TDP1SLC2A1PTGER4PTGER3PTGER2
SCHEMBL9748816 0.80 TDP1 (0.49) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL9749487 0.78 PTGER1 (0.53) SLC2A1PTGER4PTGER3PTGER2PTGER1
SCHEMBL9748801 0.77 LTA4H (0.50) SLC2A1PTGER4PTGER3PTGER2PTGER1
SCHEMBL9749163 0.77 PTGER4 (0.46) SLC2A1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6714506 0.75 TDP1 (0.65) TDP1L3MBTL1MAPK1LMNAMEN1
SCHEMBL9749185 0.75 CDC25B (0.48) L3MBTL1LMNAMEN1KMT2ATSHR
SCHEMBL5113606 0.73 TDP1 (0.53) TDP1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6626649 0.73 MEN1 (0.42) SLC2A1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6627314 0.73 NPC1 (0.48) L3MBTL1LMNA

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