SCHEMBL29145181

SCHEMBL29145181

CC(C)CCc1nc2ccccc2n1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
TLR7 Q9NYK1 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CNR1 P21554 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
GAA P10253 1/20 0.44
ALOX5AP P20292 1/20 0.44

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
SCHEMBL30098173 0.87 TLR7 (0.51) CNR2TLR7HDAC6TSHRMAPK1
SCHEMBL20532645 0.81 HDAC6 (0.49) CNR2HDAC6TSHRMAPK1LMNA
SCHEMBL10203048 0.77 MAPT (0.59) TLR7HDAC6TSHRMAPK1LMNA
SCHEMBL4440966 0.77 KMT2A (0.55) HDAC6TSHRMAPK1LMNAKMT2A
SCHEMBL6126109 0.77 TSHR (0.48) CNR2HDAC6TSHRMAPK1LMNA
SCHEMBL2794427 0.77 APEX1 (0.51) CNR2HDAC6TSHRMAPK1LMNA
SCHEMBL18764995 0.74 PTGS1 (0.48) CNR2HDAC6TSHRMAPK1KMT2A
SCHEMBL3825708 0.73 TSHR (0.57) CNR2TSHRMAPK1LMNAKMT2A
SCHEMBL9791257 0.72 NPC1 (0.62) HDAC6MAPK1LMNAKMT2AMEN1
SCHEMBL27945131 0.72 KMT2A (0.68) TSHRMAPK1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed