SCHEMBL8920384

SCHEMBL8920384

O=C(O)COc1ccc2ccccc2c1.O=C(O)Cc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
LMNA P02545 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C19 P33261 1/20 0.70
RECQL P46063 1/20 0.70
PTPN7 P35236 1/20 0.70
TDP1 Q9NUW8 3/20 0.65
MTNR1A P48039 2/20 0.55
MCL1 Q07820 3/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
PPARG P37231 2/20 0.51
NCOA2 Q15596 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL28564031 0.85 TDP1 (0.63) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL29367022 0.84 PTPN7 (1.00) MEN1KMT2ALMNAPTPN7TDP1
SCHEMBL25640 0.84 PTPN7 (1.00) MEN1KMT2ALMNAPTPN7TDP1
Naphthyloxyacetic Acid SCHEMBL27658809 0.83 KDM4E (0.77) MEN1KMT2ALMNACYP3A4CYP2C19
1-Naphthol SCHEMBL9929466 0.83 PTPN7 (0.74) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL15201762 0.82 PTPN7 (0.96) MEN1KMT2ALMNAPTPN7TDP1
SCHEMBL15201765 0.82 PTPN7 (0.96) MEN1KMT2ALMNAPTPN7TDP1
Naphthalene SCHEMBL28768364 0.82 TDP1 (0.96) MEN1KMT2ALMNATDP1KDM4E
Naphthyloxyacetic Acid SCHEMBL8920389 0.82 ALDH1A1 (0.79) MEN1KMT2ALMNATDP1MCL1
SCHEMBL29607554 0.81 TDP1 (1.00) MEN1KMT2ALMNATDP1KDM4E

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
US-5631253-A FUNGICIDES, INSECTICIDES AND MITICIDES USING METHYLOXIME PHENYLPROPENOIC ACID ZENECA LIMITED (GB) 1997-05-20 US disclosed