SCHEMBL8400778

SCHEMBL8400778

CCCCc1cccc(CC)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
APAF1 O14727 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8400783 0.94 LIPG (0.40) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9712661 0.86 GABRA1 (0.48) GABRA1GABRB2KDM4EALDH1A1HPGD
Ethane SCHEMBL2154466 0.84 GABRA1 (0.46) GABRA1GABRB2KDM4EALDH1A1HPGD
SCHEMBL8861003 0.84 NPC1 (0.40) ALDH1A1HPGDLIPGALOX5PTGS2
SCHEMBL8930901 0.84 CYP1A2 (0.42) BIDMCL1BCL2L1BAK1KDM4E
SCHEMBL28229460 0.82 ALDH1A1 (0.40) GABRA1GABRB2KDM4EALDH1A1HPGD
SCHEMBL8763164 0.80 GABRA1 (0.48) GABRA1GABRB2KDM4EALDH1A1HPGD
SCHEMBL28875626 0.80 ALOX5 (0.54) PPARALMNAHTTALOX5PTGS2
SCHEMBL8958884 0.79 LIPG (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27569853 0.78 CD274 (0.44) KDM4EALDH1A1

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
US-20120129076-A1 Novel Sulfonic Acid Group-Containing Segmented Block Copolymer and Use Thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-05-24 US disclosed