SCHEMBL8664601

SCHEMBL8664601

CC(C)(C)c1csc(-c2cc3cc(Cn4ccc5cc(OCCCC(=O)O)ccc54)ccc3o2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
S1PR1 P21453 6/20 0.40
S1PR3 Q99500 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGB5 P18084 2/20 0.38
MCL1 Q07820 4/20 0.38
BCL2 P10415 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL6601202 0.91 S1PR1 (0.39) THRATHRBS1PR1S1PR3MCL1
SCHEMBL6599833 0.85 PLA2G2A (0.47) THRATHRBS1PR1MCL1
SCHEMBL6598794 0.84 PLA2G2A (0.47) THRATHRBS1PR1S1PR3
SCHEMBL6598798 0.83 PLA2G2A (0.57)
SCHEMBL3504371 0.83 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL6598501 0.80 PLA2G2A (0.38) THRATHRBS1PR1S1PR3
SCHEMBL6598919 0.79 S1PR1 (0.36) THRATHRBS1PR1S1PR3
SCHEMBL6598918 0.79 S1PR1 (0.36) THRATHRBS1PR1S1PR3
SCHEMBL8624729 0.78 THRA (0.46) THRATHRB
SCHEMBL6599901 0.78 S1PR1 (0.39) S1PR1

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
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed