SCHEMBL9628477

SCHEMBL9628477

CCSC1c2cccc(O)c2C(=O)c2c(O)cccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 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
SCHEMBL9628552 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9628696 0.82 CES2 (0.51) CES2
SCHEMBL9629596 0.82 CES2 (0.51) CES2
SCHEMBL9628621 0.82 STAT3 (0.46)
SCHEMBL9628724 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9628671 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9628643 0.79 LMNA (0.38) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9629366 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9628620 0.77 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL9628633 0.77 CA12 (0.38)

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-0314405-B1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1992-03-18 EP claimed
EP-0314405-B1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1992-03-18 EP disclosed
US-4997961-A Compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1991-03-05 US disclosed
EP-0386050-A1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1990-09-12 EP disclosed
US-4927845-A Compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1990-05-22 US disclosed
WO-1989003822-A1 NEW COMPOUNDS OF THE ANTHRAQUINONE SERIES THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1989-05-05 WO disclosed
EP-0314405-A1 New compounds of the anthraquinone series THE VICTORIA UNIVERSITY OF MANCHESTER (GB) 1989-05-03 EP disclosed