SCHEMBL4159230

SCHEMBL4159230

CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CC)s1.CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C2CCCCC2)cs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
RORC P51449 5/20 0.44
TMIGD3 P0DMS9 2/20 0.43
ADORA1 P30542 2/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 3/20 0.37
ADORA2A P29274 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
IDO1 P14902 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4174122 0.91 ALDH1A1 (0.39) ALDH1A1RORCTMIGD3ADORA1HSD17B10
SCHEMBL4167211 0.89 CTPS1 (0.39) ALDH1A1RORCTMIGD3ADORA1HSD17B10
SCHEMBL1621732 0.85 ALDH1A1 (0.61) ALDH1A1RORCADORA1HSD17B10HPGD
SCHEMBL1621586 0.85 ADORA1 (0.58) RORCTMIGD3ADORA1HSD17B10LMNA
SCHEMBL1621410 0.76 MAPT (0.54) ALDH1A1RORCMAPTLMNAUSP2
SCHEMBL1621250 0.75 ALDH1A1 (0.58) ALDH1A1RORCHSD17B10HPGDMAPT
SCHEMBL1622016 0.75 ALDH1A1 (0.55) ALDH1A1RORCADORA1HSD17B10HPGD
SCHEMBL1466192 0.73 ALDH1A1 (0.60) ALDH1A1RORCADORA1HSD17B10HPGD
SCHEMBL3659566 0.73 ALDH1A1 (0.54) ALDH1A1RORCHSD17B10HPGDTSHR
SCHEMBL4073631 0.73 MEN1 (0.40) ALDH1A1RORCTMIGD3ADORA1HSD17B10

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed