SCHEMBL28758348

SCHEMBL28758348

Cc1ccc(C=CC2CN(C(=O)OC(C)(C)C)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ KAT5 Q92993 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ DPP4 P27487 1/20 0.36

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
SCHEMBL21722835 1.00 USP30 (0.41) USP30GPR119HDAC1HDAC2BACE1
SCHEMBL29511830 0.86 RORC (0.43) USP30GPR119HDAC1HDAC2RORC
SCHEMBL22462815 0.86 RORC (0.43) USP30GPR119HDAC1HDAC2RORC
SCHEMBL22462808 0.83 NFE2L2 (0.39) —
SCHEMBL21723087 0.76 RORC (0.42) USP30GPR119HDAC1HDAC2RORC
SCHEMBL20971857 0.76 GRM5 (0.45) GPR119KMT2AF13A1TGM2TGM1
SCHEMBL30836066 0.76 CYP1A1 (0.43) GPR119RORCPDE4B
SCHEMBL21722865 0.76 RORC (0.41) USP30GPR119HDAC1HDAC2RORC
SCHEMBL21381806 0.75 MAPT (0.47) USP30GPR119HDAC1HDAC2RORC
SCHEMBL20015276 0.75 DPP4 (0.53) GPR119KMT2ADPP4

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
CN-114650994-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2022-06-21 — — CN disclosed
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