SCHEMBL28587168

SCHEMBL28587168

CC#CC#CCC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 4/20 0.44
GSK3B P49841 2/20 0.44
PTPN1 P18031 2/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL28684444 0.86 L3MBTL1 (0.57) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL8629047 0.78 KMT2A (0.56) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL28686513 0.78 KMT2A (0.47) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL13784667 0.77 L3MBTL1 (0.45) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL27916823 0.76 MAPK1 (0.54) L3MBTL1ATMKMT2AMAPTTDP1
Benzophenone SCHEMBL28587169 0.76 ALDH1A1 (0.67) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL8975151 0.75 MAPK1 (0.52) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL29543776 0.75 HSP90AA1 (0.50) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL10167808 0.74 L3MBTL1 (0.43) L3MBTL1ATMKMT2AMAPTTDP1
SCHEMBL28421674 0.73 ALDH1A1 (0.51) L3MBTL1KMT2AMAPTTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112972516-B A disinfectant product for treating otitis externa 河南比福制药股份有限公司 2022-05-10 CN disclosed
CN-112972516-A A disinfectant product for treating otitis externa 河南比福制药股份有限公司 2021-06-18 CN disclosed