SCHEMBL8250284

SCHEMBL8250284

CC1(NC(=O)c2ccccc2)C=CC(O)=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
PPP1CA P62136 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL27998786 0.78 MAPT (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4043808 0.69 LMNA (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12987195 0.69 FAAH (0.51) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL29120775 0.66 LMNA (0.53) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL28844089 0.66 HSD11B1 (0.39)
SCHEMBL10604536 0.66 CTSL (0.49) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL17031709 0.65 FAAH (0.47) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL10590807 0.65 CTSK (0.54) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL30984052 0.65 FAAH (0.47) FAAHALDH1A1GAAKDM4EMEN1
SCHEMBL867351 0.65 FAAH (0.47) FAAHALDH1A1GAAKDM4EMEN1

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-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed