SCHEMBL13072201

SCHEMBL13072201

CCCCOc1c(C(=O)Oc2ccccc2)c(C)cc2c(NC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
FAAH O00519 7/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL10161372 0.88 BRD4 (0.40) KMT2AALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL10196588 0.83 FAAH (0.45) FAAHKMT2AALDH1A1HPGDCYP1A2
SCHEMBL10197010 0.80 PTPN1 (0.40) FAAHHPGDCYP1A2CYP2C19
SCHEMBL13072478 0.80 CNR2 (0.38) CNR2KMT2AALDH1A1HPGDCYP1A2
SCHEMBL10196582 0.80 THRA (0.40) CNR2FAAHKMT2ACYP1A2CYP2C19
SCHEMBL10196117 0.79 MEN1 (0.43) CNR2KMT2AMEN1
SCHEMBL10107728 0.73 FAAH (0.40) CNR2FAAHKMT2AALDH1A1HPGD
SCHEMBL10107723 0.73 FAAH (0.40) CNR2FAAHKMT2AALDH1A1CYP1A2
SCHEMBL10107750 0.73 FAAH (0.40) CNR2FAAHCYP1A2CYP2C19
SCHEMBL17849870 0.73 FAAH (0.39) CNR2FAAH

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-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed