SCHEMBL9237257

SCHEMBL9237257

CCOC(=O)c1sccc1C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
POLB P06746 2/20 0.45
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
STAT1 P42224 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TSHR P16473 3/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL15614500 0.86 KMT2A (0.47) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL14720965 0.83 KMT2A (0.51) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL15203323 0.83 KMT2A (0.51) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL8629005 0.81 KMT2A (0.46) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL30687394 0.78 MAPK8 (0.50) MAPK8MAPK9MAPK10KMT2AL3MBTL1
SCHEMBL3053745 0.75 PKM (0.67) MAPK8MAPK9MAPK10KMT2AL3MBTL1
SCHEMBL5239795 0.74 MAPK8 (0.51) MAPK8MAPK9MAPK10POLBKMT2A
SCHEMBL3280235 0.74 KMT2A (0.76) MAPK8MAPK9MAPK10KMT2AL3MBTL1
SCHEMBL5078857 0.74 TSHR (0.55) MAPK8MAPK9MAPK10KMT2AL3MBTL1
SCHEMBL13469238 0.74 PKM (0.50) MAPK8MAPK9MAPK10POLBKMT2A

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-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US disclosed