SCHEMBL12486117

SCHEMBL12486117

O=CC1=C(C(=O)O)c2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 5/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALOX15 P16050 1/20 0.40
ERCC1 P07992 1/20 0.39

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
SCHEMBL901091 0.82 HSD17B10 (0.59) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL15477049 0.81 HSD17B10 (0.43) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL15477048 0.81 HSD17B10 (0.43) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL546727 0.81 HSD17B10 (0.40) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL547828 0.80 ALDH1A1 (0.54) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL548323 0.75 MEN1 (0.34) HSD17B10CES1MEN1KMT2AUNG
SCHEMBL546728 0.73 HSD17B10 (0.50) HSD17B10ALDH1A1L3MBTL1RXFP1MEN1
SCHEMBL9390822 0.73 HSD17B10 (0.42) HSD17B10ALDH1A1CES2BCHECES1
SCHEMBL21831060 0.72 PARP1 (0.45) HSD17B10PARP1ALDH1A1CES2BCHE
SCHEMBL28813379 0.71 HSD17B10 (0.47) HSD17B10ALDH1A1CES2BCHECES1

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-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed