SCHEMBL29232004

SCHEMBL29232004

CC1CCCC(=O)C1=O.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
KMT2A Q03164 3/20 0.44
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL1171870 0.97
SCHEMBL6655539 0.90 CA1 (0.58) CA1CA2CA4KMT2ARAB9A
SCHEMBL11060220 0.88 KMT2A (0.60) CA1CA2CA4KMT2ARAB9A
SCHEMBL6826712 0.85 CA1 (0.39) CA1CA2CA4KMT2ARAB9A
SCHEMBL511158 0.81
SCHEMBL13715103 0.73
SCHEMBL3486322 0.70
SCHEMBL7861291 0.70 MAPT (0.38) ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL4176635 0.70
SCHEMBL106582 0.70

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-115043764-B Synthesis method of clethodim intermediate 宁夏汉润生物科技有限公司 2024-04-12 CN claimed
CN-115043764-A Synthetic method of clethodim intermediate 宁夏汉润生物科技有限公司 2022-09-13 CN claimed
CN-115043764-B Synthesis method of clethodim intermediate 宁夏汉润生物科技有限公司 2024-04-12 CN disclosed
CN-115043764-A Synthetic method of clethodim intermediate 宁夏汉润生物科技有限公司 2022-09-13 CN disclosed