SCHEMBL10140580

SCHEMBL10140580

CC(C)C(=O)[C@H](Cc1cccnc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
ECE1 P42892 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
FDPS P14324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GPR132 Q9UNW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NLRP3 Q96P20 1/20 0.43
FPR1 P21462 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL888694 0.86 ACACB (0.48) TBXAS1MMP9MMP8ECE1POLB
SCHEMBL10122806 0.86 ACACB (0.48) TBXAS1MMP9MMP8ECE1POLB
SCHEMBL14949075 0.86 TBXAS1 (0.51) TBXAS1MMP9MMP8NAPRTECE1
SCHEMBL14511421 0.84 TBXAS1 (0.47) TBXAS1MMP9MMP8NAPRTECE1
SCHEMBL15185855 0.83 KMT2A (0.47) TBXAS1MMP9MMP8NAPRTLMNA
SCHEMBL5633590 0.83 RECQL (0.51) TBXAS1NAPRTECE1LMNAFDPS
SCHEMBL5633599 0.83 RECQL (0.51) TBXAS1NAPRTECE1LMNAFDPS
SCHEMBL21896497 0.82 POLB (0.55) TBXAS1NAPRTLMNAPOLBFDPS
SCHEMBL25003863 0.82 LMNA (0.62) ECE1LMNAGPR132KDM4EKMT2A
SCHEMBL3781113 0.77 GPR132 (0.55) TBXAS1NAPRTECE1LMNAFDPS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed