SCHEMBL8032749

SCHEMBL8032749

CCCCCCCCCCCCCCOc1ccc(CC#N)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
NR5A1 Q13285 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
PLA2G4B P0C869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1237860 0.80 APLNR (0.58) CNR2ALDH1A1TSHR
SCHEMBL3905575 0.80 APLNR (0.42) ALDH1A1TSHRKDM4EHTT
SCHEMBL16314448 0.79 THRA (0.56) THRATHRBNR5A1TSHRPLA2G4B
SCHEMBL20237239 0.78 CNR2 (0.58) CNR1CNR2THRATHRBNR5A1
SCHEMBL19612480 0.77 PLA2G4B (0.58) THRATHRBNR5A1ALDH1A1TSHR
SCHEMBL14223948 0.77 CNR2 (0.39) CNR2NR5A1KDM4E
SCHEMBL13339091 0.76 THRA (0.53) CNR1CNR2THRATHRBNR5A1
SCHEMBL6132225 0.76 ALDH1A1 (0.46) THRBNR5A1ALDH1A1MEN1KMT2A
SCHEMBL15396940 0.76 ALDH1A1 (0.46) THRBNR5A1ALDH1A1MEN1KMT2A
SCHEMBL2846283 0.75 MAPT (0.49) CNR1CNR2THRATHRBALDH1A1

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-2000071118-A1 PHOSPHOLIPASE A2-SPECIFIC INHIBITING COMPOUNDS UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-11-30 WO disclosed