SCHEMBL10691604

SCHEMBL10691604

CCCC(=O)c1ccc2c(c1)CCCS2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B3 P37058 1/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTNNB1 P35222 7/20 0.41
WNT3A P56704 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
GAA P10253 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL10688073 0.92 HSD17B3 (0.45) HSD17B3CTNNB1WNT3APDE4APDE4B
SCHEMBL25569790 0.91 HPGD (0.47) HPGDRAB9AALDH1A1MAPTHSD17B3
SCHEMBL7084031 0.91 HSD17B3 (0.47) ALDH1A1MAPTHSD17B3MEN1KMT2A
SCHEMBL10693463 0.88 ATM (0.42) HPGDRAB9AALDH1A1MAPTNPC1
SCHEMBL10779070 0.84 ATM (0.41) HPGDRAB9AALDH1A1MAPTNPC1
SCHEMBL10693207 0.82 GNG2 (0.45) ALDH1A1MAPTCTNNB1WNT3AGNG2
SCHEMBL7085094 0.82 HSD17B3 (0.49) HSD17B3
SCHEMBL8102062 0.81 ALDH1A1 (0.39) HPGDRAB9AALDH1A1MAPTNPC1
SCHEMBL4694745 0.80 MAPT (0.47) HPGDRAB9AALDH1A1MAPTNPC1
SCHEMBL25569823 0.79 HPGD (0.47) HPGDRAB9AALDH1A1MAPTHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 WO disclosed