SCHEMBL24199822

SCHEMBL24199822

CCc1ccc(Cc2cc(C)c(C)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
SLC5A2 P31639 10/20 0.36
SLC5A1 P13866 5/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL1252300 0.86 SNCA (0.38) SNCASLC5A2SLC5A1ALOX5PTGS1
SCHEMBL24199854 0.83 SLC5A1 (0.43) SLC5A2SLC5A1PTGS2CA2
SCHEMBL24199851 0.79 FFAR4 (0.38) SNCASLC5A2SLC5A1RAB9APDE3B
SCHEMBL1252956 0.79 SLC5A2 (0.39) SLC5A2SLC5A1ALOX5PTGS1PTGS2
SCHEMBL28459505 0.79 ALDH1A1 (0.48) SNCACA2
SCHEMBL15788771 0.77 TSHR (0.44) RAB9A
SCHEMBL27684413 0.77 SMN1; SMN2 (0.44) KMT2ACA2
SCHEMBL37695 0.76 KDM4E (0.44) SLC5A2SLC5A1ALOX5PTGS1PTGS2
SCHEMBL14795304 0.74 SNCA (0.40) SNCASLC5A2SLC5A1RAB9A
SCHEMBL2240779 0.74 SNCA (0.36) SNCASLC5A2SLC5A1RAB9APDE3B

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
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed