SCHEMBL1629434

SCHEMBL1629434

CC(CO)(CO)C(=O)OCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Pibecarb SCHEMBL2109461 0.84 NPC1 (0.56) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL28050529 0.82 NPC1 (0.50) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL846938 0.76 ALDH1A1 (0.56) NPC1RAB9AHPGDL3MBTL1LMNA
SCHEMBL7720386 0.75 NPC1 (0.53) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL10875576 0.75 NPC1 (0.53) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL1907159 0.74 NPC1 (0.61) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL291698 0.74 L3MBTL1 (0.59) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL291697 0.74 L3MBTL1 (0.59) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL10809629 0.74 L3MBTL1 (0.59) NPC1RAB9AHPGDL3MBTL1TSHR
SCHEMBL17636576 0.74 TSHR (0.36) TSHRCYP2C19SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362159-B2 Degradable biocompatible block copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2013-01-29 US disclosed
US-20110093066-A1 Degradable Biocompatible Block Copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2011-04-21 US disclosed
US-20060178477-A1 Degradable biocompatible block copolymer EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2006-08-10 US disclosed