SCHEMBL30565124

SCHEMBL30565124

CCCCCC#CCCOC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.39
HMGCR P04035 2/20 0.39
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 3/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL28631273 0.79
SCHEMBL252597 0.76 THRB (0.39) MEN1MAPTKMT2A
SCHEMBL1760799 0.75 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL127022 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL16311961 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL24829886 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL16311963 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL4505591 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL278721 0.74 THRB (0.44) MEN1MAPTKMT2A
SCHEMBL2647917 0.74 THRB (0.44) MEN1MAPTKMT2A

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-116693389-A Method for synthesizing tomato leaf miner sex pheromone (3E, 8Z) -3, 8-tetradecadienyl acetate 新元果业(山东)集团有限公司 2023-09-05 CN disclosed