SCHEMBL7101359

SCHEMBL7101359

CCc1ccc(Cc2ccc(C(=O)OC)cc2)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 3/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RXRA P19793 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 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
SCHEMBL4001117 0.88 LMNA (0.52) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL6815544 0.85 LMNA (0.57) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL2575159 0.82 MAPT (0.64) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL3999257 0.80 RXRA (0.56) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6158387 0.80 TSHR (0.67) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL2842635 0.80 HPGD (0.57) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL6819480 0.80 LMNA (0.57) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL11844159 0.79 MAPK1 (0.46) MAPTRAB9AL3MBTL1NPC1GAA
SCHEMBL2854822 0.79 HPGD (0.56) LMNAHPGDMAPTRAB9AL3MBTL1
SCHEMBL28085734 0.79 MTNR1A (0.46) LMNAHPGDMAPTRAB9AL3MBTL1

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
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 EP disclosed