SCHEMBL11527296

SCHEMBL11527296

CCc1ccc(O)c(C(=O)c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
TRPA1 O75762 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
MMP9 P14780 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3B Q9UBC3 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PLA2G1B P04054 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5991790 0.86 MAPT (0.49) CNR1CNR2TRPA1LMNAALDH1A1
SCHEMBL11527226 0.86 CNR2 (0.54) CNR1CNR2TRPA1LMNAALDH1A1
SCHEMBL30070803 0.85 HNF4A (0.54) TRPA1LMNAALDH1A1KLKB1CTSB
SCHEMBL4521629 0.85 HNF4A (0.54) TRPA1LMNAALDH1A1KLKB1CTSB
SCHEMBL30070764 0.83 CSNK2A1 (0.62) SRD5A2CNR1CNR2LMNAALDH1A1
SCHEMBL9856867 0.82 SRD5A2 (0.51) SRD5A2CNR1CNR2LMNAALDH1A1
SCHEMBL5990019 0.82 SRD5A2 (0.52) SRD5A2CNR1CNR2TRPA1KLKB1
SCHEMBL9816965 0.81 CSNK2A1 (0.64) TRPA1LMNAALDH1A1MAPTMEN1
SCHEMBL11513240 0.80 SRD5A2 (0.46) SRD5A2CNR1CNR2LMNAALDH1A1
SCHEMBL48194 0.79 CNR2 (0.57) CNR1CNR2LMNAALDH1A1MAPT

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-4141995-A Ketone derivatives LILLY INDUSTRIES LIMITED (GB) 1979-02-27 US disclosed