SCHEMBL9748801

SCHEMBL9748801

OCCCc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
SLC2A1 P11166 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
PTGER1 P34995 1/20 0.42
POLB P06746 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL6627314 0.86 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9749487 0.84 PTGER1 (0.53) SLC2A1MAPTSMN1; SMN2PTGER4PTGER3
SCHEMBL9749163 0.83 PTGER4 (0.46) SLC2A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6626649 0.81 MEN1 (0.42) SLC2A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5113606 0.78 TDP1 (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9748985 0.78 CYP4F2 (0.54) LTA4HSLC2A1NPC1RAB9AMAPT
SCHEMBL3294566 0.78 MEN1 (0.43) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9749099 0.77 TDP1 (0.48) SLC2A1L3MBTL1PTGER4PTGER3PTGER2
SCHEMBL7394692 0.76 TDP1 (0.44) LTA4HEPHX2NPC1MAPTL3MBTL1
SCHEMBL3295010 0.75 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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 6 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-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