SCHEMBL11223769

SCHEMBL11223769

CCCCCc1[nH]nc(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.51
HCAR3 P49019 2/20 0.47
PDE4D Q08499 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
MAPT P10636 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
SCHEMBL14822489 0.78 HCAR2 (0.43) HCAR2PDE4D
SCHEMBL11411101 0.77 HCAR2 (0.65) HCAR2HCAR3BIDMCL1BCL2L1
SCHEMBL4761870 0.75 HCAR2 (0.44) HCAR2HCAR3BIDMCL1BCL2L1
SCHEMBL11035220 0.75 HCAR2 (0.46) HCAR2HCAR3PDE4DBIDMCL1
SCHEMBL28137757 0.74 DYRK1A (0.38) HCAR2HCAR3MAPT
SCHEMBL22637664 0.72 HCAR2 (0.42) HCAR2PDE4D
SCHEMBL9115479 0.72 HCAR2 (0.55) HCAR2HCAR3BIDMCL1BCL2L1
SCHEMBL11365654 0.72 HCAR2 (0.59) HCAR2HCAR3BIDMCL1BCL2L1
SCHEMBL14989207 0.71 BID (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL14989301 0.71 BID (0.51) BIDMCL1BCL2L1BAK1KAT8

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-0074749-A2 Substituted pyrazole herbicides UNIROYAL, INC. (US) 1983-03-23 EP disclosed