SCHEMBL12486753

SCHEMBL12486753

Oc1c(O)c2cc3ccccc3cc2c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
NQO2 P16083 1/20 0.44
CYP1A2 P05177 2/20 0.44
CASP6 P55212 1/20 0.44
HPRT1 P00492 3/20 0.43
PADI4 Q9UM07 1/20 0.43
HSP90AA1 P07900 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28872648 0.89 ALDH1A1 (0.50) TRPM4PTPN22ALDH1A1HSD17B10HIF1A
SCHEMBL19253229 0.86 CYP1A2 (0.46) TRPM4PTPN22ALDH1A1HSD17B10HIF1A
SCHEMBL2115679 0.86 CYP1A2 (0.50) TRPM4PTPN22ALDH1A1HSD17B10HIF1A
SCHEMBL4855544 0.86 ALDH1A1 (0.58) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
Benzo[B]Triphenylene SCHEMBL71635 0.86 ALDH1A1 (0.58) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
Benzo[B]Triphenylene SCHEMBL29374595 0.86 ALDH1A1 (0.58) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
Benzo[B]Triphenylene SCHEMBL29628013 0.86 ALDH1A1 (0.58) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
Benzo[B]Triphenylene SCHEMBL17537048 0.83 ALDH1A1 (0.55) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL415471 0.83 ALDH1A1 (0.55) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL27737884 0.83 CYP1A2 (0.52) TRPM4PTPN22ALDH1A1HSD17B10HIF1A

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