SCHEMBL936096

SCHEMBL936096

Cc1cccc2[nH]cc(SC(C(=O)O)C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
BCAT2 O15382 1/20 0.39
POLB P06746 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR2 Q13324 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL936239 0.86 SMN1; SMN2 (0.45) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL957431 0.83 GPR84 (0.41) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL955533 0.83 GPR84 (0.41) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL935339 0.83 GPR84 (0.41) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL935586 0.83 POLB (0.51) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL935459 0.81 ALDH1A1 (0.42) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL936221 0.81 POLB (0.45) GPR84POLBMAPTKDM4ENPC1
SCHEMBL936027 0.81 GPR84 (0.42) GPR84POLBMAPTKDM4EAPAF1
SCHEMBL1052259 0.78 ACE (0.41) POLBITGB2ICAM1ITGALGFER
SCHEMBL935380 0.78 ACE (0.41) POLBITGB2ICAM1ITGALGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed