SCHEMBL6598955

SCHEMBL6598955

COc1cccc(COc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c1OC(C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
PARP10 Q53GL7 3/20 0.36
PARP15 Q460N3 2/20 0.36
PARP14 Q460N5 1/20 0.35
F2RL3 Q96RI0 1/20 0.33
PLAU P00749 1/20 0.33
APP P05067 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR1 P21453 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL6598704 0.93 SHMT2 (0.34) MAOAMAOBPARP10PARP15PARP14
SCHEMBL6597022 0.93 SHMT2 (0.34) MAOAMAOBPARP10PARP15PARP14
SCHEMBL7477783 0.93 SHMT2 (0.34) MAOAMAOBPARP10PARP15PARP14
SCHEMBL6599848 0.92 F2RL3 (0.34) MAOAMAOBPARP10PARP15PARP14
SCHEMBL7475437 0.91 MAPT (0.33) MAOAMAOBPARP10PARP15PARP14
SCHEMBL6603232 0.89 PARP10 (0.38) MAOAMAOBPARP10PARP15PARP14
SCHEMBL7476179 0.86 F2RL3 (0.33) F2RL3MAPK1
SCHEMBL7480046 0.83 F2RL3 (0.31) F2RL3
SCHEMBL6598187 0.83 S1PR1 (0.36) MAOAMAOBPARP10PARP15PARP14
SCHEMBL7473805 0.81 MAOA (0.39) MAOAMAOBPLAUAPPS1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
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