SCHEMBL9749185

SCHEMBL9749185

CCOC(=O)c1ccccc1Cc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.48
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
MAOB P27338 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PPIA P62937 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
SCHEMBL9748638 0.80 CDC25B (0.56) CDC25BCDC25ACDC25CKMT2AMEN1
SCHEMBL3642333 0.76 TSHR (0.65) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL1681013 0.76 EGLN1 (0.55) KMT2ANPC1RAB9ATSHRALDH1A1
SCHEMBL9748985 0.76 CYP4F2 (0.54) KMT2AMEN1NPC1RAB9AKDM4E
Bicarbonate SCHEMBL27544354 0.75 TSHR (0.62) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL9749099 0.75 TDP1 (0.48) KMT2AMEN1TSHRALDH1A1L3MBTL1
SCHEMBL9748898 0.74 NPC1 (0.42) NPC1RAB9AL3MBTL1MAPT
SCHEMBL5113606 0.74 TDP1 (0.53) NPC1RAB9AALDH1A1KDM4EGLA
SCHEMBL28957917 0.74 TSHR (0.50) MAOBKMT2AMEN1HSP90AA1RAB9A
SCHEMBL6627314 0.73 NPC1 (0.48) MAOBNPC1RAB9AL3MBTL1LMNA

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