SCHEMBL9839418

SCHEMBL9839418

C=CCc1ccc2ccccc2c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC2A1 P11166 3/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL23581444 0.79 ALDH1A1 (0.38) HPGDKDM4EHSD17B10
SCHEMBL9839454 0.78 SLC2A1 (0.38) CA12CA1CA9SLC2A1
SCHEMBL9838039 0.77 SLC2A1 (0.40) HPGDKDM4ESLC2A1HSD17B10ELANE
SCHEMBL17838077 0.76 HPGD (0.38) HPGDMEN1KMT2ASLC2A1HSD17B10
SCHEMBL6907401 0.75 ALDH1A1 (0.31) CA12CA1CA9
SCHEMBL28540281 0.75 HPGD (0.47) HPGDCA12CA1CA9SLC2A1
SCHEMBL1931040 0.75 ALDH1A1 (0.43) KDM4EADRA2AADRA2BADRA2C
SCHEMBL30079867 0.73 POLB (0.46) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL9838061 0.73 SLC6A2 (0.41) HPGDKDM4EMEN1KMT2A
SCHEMBL9837809 0.73 IDO1 (0.36)

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
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