SCHEMBL9748898

SCHEMBL9748898

Brc1ccccc1Cc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.40
IDO1 P14902 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL26905254 0.81 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6627314 0.79 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9749185 0.74 CDC25B (0.48) NPC1RAB9AMAPTL3MBTL1
SCHEMBL3295010 0.74 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL5113336 0.74 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL5113606 0.74 TDP1 (0.53) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL12772159 0.74 MAOB (0.45) MAPTSMN1; SMN2L3MBTL1THRATHRB
SCHEMBL29097577 0.74 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9748801 0.73 LTA4H (0.50) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8859833 0.72 NPC1 (0.62) 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 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