SCHEMBL9586103

SCHEMBL9586103

O=C1C2(CCCCC2)CCCC12CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL2774087 0.97 APAF1 (0.36) APAF1POLBMAPT
SCHEMBL30230900 0.78
SCHEMBL7290529 0.76 ALDH1A1 (0.34) POLBALDH1A1TRIM24TRIM33
SCHEMBL4856995 0.76
SCHEMBL10485644 0.69 ESR1 (0.36) ALDH1A1TRIM24TRIM33
SCHEMBL3815762 0.69 TRIM24 (0.40) ALDH1A1TRIM24TRIM33
SCHEMBL537099 0.69 ALDH1A1 (0.33) ALDH1A1TRIM24TRIM33
SCHEMBL22470021 0.69 ALDH1A1 (0.33) ALDH1A1TRIM24TRIM33
SCHEMBL8837715 0.69 TRIM24 (0.40) ALDH1A1TRIM24TRIM33
SCHEMBL3400810 0.69 TRIM24 (0.40) ALDH1A1TRIM24TRIM33

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268481-A Containing a benzene ring BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1993-12-07 US disclosed
US-5043445-A Bis-1,3-diazine heterocyclic derivatives as antiarrhythmic agents OKLAHOMA STATE UNIVERSITY (US) 1991-08-27 US disclosed
US-4980468-A ANTIARRHYTHMIC AGENTS BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1990-12-25 US disclosed
US-4910311-A Containing a phenyl or thiophene ring BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL MECHANICAL COLLEGES, ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIV. (US) 1990-03-20 US disclosed
US-4778892-A Certain 3-selena-7-aza-bicyclo[3.3.1]nonanes as antiarrhythmic agents OKLAHOMA STATE UNIVERSITY (US) 1988-10-18 US disclosed