SCHEMBL12486238

SCHEMBL12486238

O=C(O)c1cccc2c(O)c(O)c3cccc(O)c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
HMGB1 P09429 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
G6PD P11413 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CDC25B P30305 1/20 0.47
HSD17B10 Q99714 4/20 0.47
THRB P10828 2/20 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
SCHEMBL30991604 0.80 KDM4E (0.53) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL3391576 0.80 HPGD (0.58) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL27778819 0.80 KDM4E (0.53) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL20349104 0.78 NR4A1 (0.53) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL9154691 0.78 NR4A1 (0.53) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL3389128 0.78 HPGD (0.61) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL29940636 0.78 HSD17B10 (0.67) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL689259 0.78 HSD17B10 (0.67) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL28539627 0.77 NR4A1 (0.61) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL3391137 0.76 HPGD (0.58) HPGDKDM4EALDH1A1CA12CA1

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 4 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
CN-103917098-A Silica encapsulated biomaterials UNIV MINNESOTA 2014-07-09 CN 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