SCHEMBL4084609

SCHEMBL4084609

CCN1C(C)=C(C(=O)O)C(CC)(c2sc3ccccc3c2C)C(C(=O)O)=C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MCL1 Q07820 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TRPM8 Q7Z2W7 3/20 0.32
NOD2 Q9HC29 1/20 0.32
MAOB P27338 1/20 0.32
GCGR P47871 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PYGM P11217 2/20 0.32
PYGL P06737 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4758299 0.76 LMNA (0.42) ALDH1A1KMT2ALMNAPYGMPYGL
SCHEMBL4755316 0.71 HCAR2 (0.36) ALDH1A1KMT2ALMNAPYGMPYGL
SCHEMBL4755372 0.68 TSHR (0.39) ALDH1A1KMT2ALMNAKDM4ETDP1
SCHEMBL3392997 0.64 TDP1 (0.40) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL584871 0.64 RXFP1 (0.71) PRNPRXFP1HSD11B1ALDH1A1KMT2A
SCHEMBL29939764 0.64 RXFP1 (0.71) PRNPRXFP1HSD11B1ALDH1A1KMT2A
SCHEMBL9025206 0.61 ALDH1A1 (0.64) PRNPRXFP1HSD11B1ALDH1A1KMT2A
SCHEMBL29513035 0.61 ALDH1A1 (0.64) PRNPRXFP1HSD11B1ALDH1A1KMT2A
SCHEMBL30693720 0.60 PRNP (0.49) PRNPRXFP1HSD11B1ALDH1A1KMT2A
SCHEMBL13963145 0.60 HSD11B1 (0.62) PRNPRXFP1HSD11B1ALDH1A1KMT2A

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-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed