SCHEMBL9432004

SCHEMBL9432004

COC(=O)c1cc2c(C(C)O)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.50
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
F9 P00740 2/20 0.45
PLAU P00749 2/20 0.45
RPS6KB1 P23443 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL829404 0.90 SLC9A1 (0.61) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20509928 0.87 SLC9A1 (0.52) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432173 0.84 F9 (0.47) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8329863 0.81 HDAC3 (0.51) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432172 0.79 SLC9A1 (0.42) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL806489 0.79 SLC9A1 (0.58) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5584284 0.79 HDAC3 (0.52) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL721446 0.79 L3MBTL1 (0.57) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15698911 0.79 HDAC3 (0.52) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL829725 0.78 SLC9A1 (0.56) SLC9A1HDAC3HDAC4HDAC1HDAC7

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-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed