SCHEMBL7317616

SCHEMBL7317616

C=Cc1cccc(SC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.36
AR P10275 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SLC6A4 P31645 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 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
SCHEMBL5370189 0.81 ALDH1A1 (0.44) TDP1ALDH1A1TSHRPTGS2AR
SCHEMBL7317610 0.81 AR (0.33) ARSLC6A4TUBB4ATUBBTUBA3C
SCHEMBL31351861 0.79 SLC6A4 (0.42) ARSLC6A4KDM4EHSD17B10
SCHEMBL5950486 0.78 TP53 (0.54) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL19289354 0.75 ALDH1A1 (0.50) TP53TDP1ALDH1A1TSHRAR
SCHEMBL7550633 0.73 TDP1 (0.48) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL28687409 0.72 ALDH1A1 (0.52) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL10294043 0.71 ACHE (0.48) TP53TDP1ALDH1A1TSHRAR
SCHEMBL21881 0.71 TDP1 (0.67) TP53TDP1ALDH1A1TSHRPTGS2
SCHEMBL10294034 0.69 ACHE (0.43) TP53ALDH1A1ARSLC6A4

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-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed