SCHEMBL9548003

SCHEMBL9548003

COc1ccc(CC(C)=O)cc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
LMNA P02545 5/20 0.46
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
STAT3 P40763 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA5A P35218 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LDHA P00338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9724440 0.87 GAA (0.64) GAALMNACYP3A4SMN1; SMN2STAT3
SCHEMBL9724381 0.86 GAA (0.46) GAALMNASMN1; SMN2STAT3ALDH1A1
SCHEMBL187562 0.81 LMNA (0.61) GAALMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL29354607 0.81 LMNA (0.61) GAALMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL12284612 0.81 GAA (0.42) GAALMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL28561801 0.80 LMNA (0.59) GAALMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL4082027 0.78 GAA (0.51) GAALMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL30388881 0.78 GAA (0.75) GAALMNACYP3A4ALDH1A1TDP1
SCHEMBL18255551 0.78 GAA (0.75) GAALMNACYP3A4ALDH1A1TDP1
SCHEMBL2405481 0.78 CCR5 (0.52) GAALMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed