SCHEMBL5791547

SCHEMBL5791547

C=COC(=O)OCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.40
SLC13A5 Q86YT5 2/20 0.40
ESRRB O95718 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
LMNA P02545 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
EPHX2 P34913 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NR4A2 P43354 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL1788420 0.86 ESRRG (0.47) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL16394534 0.80 THRB (0.37) LMNAMEN1KMT2A
SCHEMBL3367885 0.80 ESRRG (0.45) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL24858703 0.79 NR1H4 (0.46) ESRRGSLC13A5ESRRBGPR84LMNA
SCHEMBL12032213 0.78 RXRA (0.43) ESRRGSLC13A5ESRRBGPR84LMNA
SCHEMBL3367890 0.78 LMNA (0.48) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL1788418 0.78 ESRRG (0.50) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL3364293 0.77 ESRRG (0.43) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL1789855 0.76 LMNA (0.50) ESRRGSLC13A5ESRRBLMNANR1H4
SCHEMBL1789939 0.74 KCNH2 (0.50) ESRRGSLC13A5ESRRBLMNANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003057687-A1 METHODS FOR PREPARING DOXORUBICIN DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO claimed
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed
WO-2003057687-A1 METHODS FOR PREPARING DOXORUBICIN DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed