SCHEMBL9628633

SCHEMBL9628633

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTPRC P08575 1/20 0.36
PTPN13 Q12923 1/20 0.36

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
SCHEMBL9628643 0.86 LMNA (0.38)
SCHEMBL9629366 0.83 ALDH1A1 (0.40)
SCHEMBL9628552 0.83 ALDH1A1 (0.46)
SCHEMBL9628621 0.79 STAT3 (0.46)
SCHEMBL9628671 0.77 ALDH1A1 (0.41)
SCHEMBL9628477 0.77 ALDH1A1 (0.43)
SCHEMBL9628696 0.76 CES2 (0.51)
SCHEMBL9629596 0.76 CES2 (0.51)
SCHEMBL9628724 0.75 ALDH1A1 (0.41)
SCHEMBL9628620 0.69 ALDH1A1 (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