SCHEMBL9748870

SCHEMBL9748870

O=C(CCCCc1ccc2ccccc2c1O)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9749632 0.79 MTNR1A (0.50)
SCHEMBL9749184 0.79 CYP1A2 (0.57) ALDH1A1NPC1TDP1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9750244 0.77 TDP1 (0.52) ALDH1A1TDP1KMT2AKDM4E
SCHEMBL21914028 0.77 ALDH1A1 (0.59) ALDH1A1NPC1TDP1KMT2AHPGD
SCHEMBL27926016 0.76 CYP1A2 (0.60) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL11958401 0.75 KMT2A (0.59) ALDH1A1NPC1TDP1KMT2AKDM4E
SCHEMBL7834822 0.75 HDAC1 (0.57)
SCHEMBL9614852 0.73 CYP4F2 (0.63) NPC1TDP1KDM4E
SCHEMBL5173574 0.73 ALDH1A1 (0.97) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL9692986 0.73 PTPN22 (0.47)

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