SCHEMBL9628643

SCHEMBL9628643

COC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9628633 0.86 CA12 (0.38)
SCHEMBL9628724 0.82 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9628477 0.79 ALDH1A1 (0.43) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9628552 0.79 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9628621 0.75 STAT3 (0.46)
SCHEMBL9629366 0.74 ALDH1A1 (0.40) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9628671 0.74 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9629596 0.72 CES2 (0.51)
SCHEMBL9628696 0.72 CES2 (0.51)
SCHEMBL9628620 0.70 ALDH1A1 (0.38) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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