SCHEMBL13377166

SCHEMBL13377166

COc1ccccc1C(=O)OC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
PDE4B Q07343 1/20 0.47
PIN1 Q13526 1/20 0.47

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
SCHEMBL22621474 0.98 MEN1 (0.71) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL27499034 0.95 MEN1 (0.71) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL9543892 0.92 KMT2A (0.66) MEN1KMT2AATMALDH1A1HPGD
SCHEMBL5987325 0.87 MEN1 (0.53) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL10707097 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL8607117 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL19668120 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL31069910 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL29372521 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A
SCHEMBL29302 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171222-A1 BIOCIDE COMPOSITIONS BASF SE (DE) 2023-05-03 EP disclosed
EP-1780258-B1 Perfume composition KAO CORP (JP) 2010-04-21 EP disclosed
CN-1318457-C Catalyst component for olefinic polymerization and its catalyst CHINA PETROCHEMICAL CORP (CN) 2007-05-30 CN disclosed
EP-1780258-A1 Perfume composition Kao Corporation (JP) 2007-05-02 EP disclosed
CN-1910477-A Optical resin lens and method for producing optical resin material KONICA MINOLTA OPTO INC (JP) 2007-02-07 CN disclosed
CN-1743347-A Catalyst component for olefinic polymerization and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-03-08 CN disclosed