SCHEMBL9750796

SCHEMBL9750796

O=C(O)CCOc1ccc2ccc(O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
PTPN7 P35236 1/20 0.50
MCL1 Q07820 1/20 0.47
ALB P02768 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MMP2 P08253 1/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HDAC1 Q13547 1/20 0.44
MAPT P10636 1/20 0.44
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44

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
SCHEMBL9714152 0.97 L3MBTL1 (0.54) L3MBTL1TSHRPTPN7MCL1ALB
SCHEMBL2597631 0.85 PTPN7 (0.69) L3MBTL1TSHRPTPN7KDM4EALDH1A1
SCHEMBL9750825 0.83 PTPN7 (0.72) TSHRPTPN7MCL1HCAR2KDM4E
SCHEMBL2468006 0.81 L3MBTL1 (0.69) L3MBTL1TSHRALBMMP2ESR1
SCHEMBL9559951 0.80 CYP1A2 (0.62) L3MBTL1TSHRMCL1KDM4EALDH1A1
SCHEMBL9714119 0.80 PTPN7 (0.71) TSHRPTPN7MCL1HCAR2KDM4E
SCHEMBL10902546 0.79 PDE3B (0.53) ESR1ESR2MEN1KMT2AHDAC1
SCHEMBL19168859 0.78 CHRNB2 (0.56) L3MBTL1TSHRMCL1CYSLTR2CYSLTR1
SCHEMBL4649547 0.78 MAPT (0.56) L3MBTL1HCAR2KDM4EALDH1A1ESR1
SCHEMBL6048619 0.78 MEN1 (0.58) L3MBTL1KDM4EALDH1A1CYSLTR2CYSLTR1

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-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed