SCHEMBL12484669

SCHEMBL12484669

O=C(O)C(=O)C=Cc1ccc2cc3ccccc3cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.39
CYP1A1 P04798 3/20 0.39
MAOB P27338 2/20 0.39
TBXA2R P21731 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
SCHEMBL12484665 1.00 CYP1B1 (0.39) CYP1B1CYP1A1MAOBTBXA2RPTGER4
SCHEMBL12486294 0.86 CYP1B1 (0.51) CYP1B1CYP1A1MAOBABCG2
SCHEMBL21060616 0.86 CYP1B1 (0.51) CYP1B1CYP1A1MAOBABCG2
SCHEMBL15477236 0.86 CYP1B1 (0.51) CYP1B1CYP1A1MAOBABCG2
SCHEMBL12486807 0.76 NFKB1 (0.44) MAOBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL12486811 0.76 NFKB1 (0.44) MAOBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL12485801 0.74 KMT2A (0.41) CYP1B1CYP1A1MAOBKDM4EALDH1A1
SCHEMBL15477027 0.74 KMT2A (0.41) CYP1B1CYP1A1MAOBKDM4EALDH1A1
SCHEMBL765996 0.73 CYP1B1 (0.54) CYP1B1CYP1A1MAOBTBXA2RPTGER4
SCHEMBL765995 0.73 CYP1B1 (0.54) CYP1B1CYP1A1MAOBTBXA2RPTGER4

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