SCHEMBL9548099

SCHEMBL9548099

COc1csc(CC(C)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EDNRA P25101 1/20 0.32
KEAP1 Q14145 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9724453 0.85 LMNA (0.43) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL31586054 0.69 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL27809399 0.67 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL11103793 0.67 CYP3A4 (0.55) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL11009791 0.66 CYP3A4 (0.37) CYP3A4ALDH1A1MAPK10
SCHEMBL13175569 0.64 HSP90AB1 (0.40) CYP3A4ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL31586137 0.63
SCHEMBL21737795 0.63
SCHEMBL25281976 0.63 CYP3A4 (0.76) CYP3A4SMN1; SMN2MAPTHSD17B10
SCHEMBL10863254 0.63 CYP3A4 (0.59) CYP3A4MEN1KMT2AALDH1A1LMNA

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