SCHEMBL7141643

SCHEMBL7141643

[C]#CC1CCc2ccccc2S1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
PLAU P00749 1/20 0.33
IDO1 P14902 2/20 0.31
PDPK1 O15530 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL30715562 0.81 SIGMAR1 (0.39) SIGMAR1PLAUIDO1PDPK1MTNR1A
SCHEMBL7783911 0.81 SIGMAR1 (0.39) SIGMAR1PLAUMTNR1AMTNR1BANPEP
SCHEMBL6666465 0.81 SIGMAR1 (0.39) SIGMAR1PLAUIDO1PDPK1MTNR1A
SCHEMBL8765441 0.75 SIGMAR1 (0.35) SIGMAR1PDPK1
SCHEMBL6721448 0.72 SIGMAR1 (0.43) SIGMAR1PLAUIDO1PDPK1MTNR1A
SCHEMBL16340795 0.71 TSHR (0.35) SIGMAR1IDO1
SCHEMBL10780065 0.71 SIGMAR1 (0.42) SIGMAR1PLAUIDO1PDPK1MTNR1A
SCHEMBL6676676 0.71 PLAU (0.45) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL5255259 0.71 PLAU (0.45) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL30724832 0.71 SIGMAR1 (0.42) SIGMAR1PLAUIDO1PDPK1MTNR1A

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-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed