SCHEMBL4289259

SCHEMBL4289259

C[C@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.62
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
AKR1B1 P15121 1/20 0.50
NR1H3 Q13133 1/20 0.47
NQO2 P16083 1/20 0.47
PTPN1 P18031 1/20 0.43
PTGS2 P35354 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS1 P23219 1/20 0.43
HPGD P15428 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
SCHEMBL4293129 1.00 TYR (0.62) TYRCA12CA9AKR1B1NR1H3
SCHEMBL4298856 1.00 TYR (0.62) TYRCA12CA9AKR1B1NR1H3
SCHEMBL4287064 1.00 TYR (0.62) TYRCA12CA9AKR1B1NR1H3
SCHEMBL15196950 0.86 CA12 (0.54) TYRCA12CA9AKR1B1NR1H3
SCHEMBL1491947 0.86 CA12 (0.51) TYRCA12CA9AKR1B1NR1H3
SCHEMBL10103003 0.86 CA12 (0.54) TYRCA12CA9AKR1B1NR1H3
SCHEMBL1491881 0.86 CA12 (0.51) TYRCA12CA9AKR1B1NR1H3
SCHEMBL7665014 0.85 CA12 (0.50) TYRCA12CA9AKR1B1NR1H3
SCHEMBL8829594 0.85 CA12 (0.50) TYRCA12CA9AKR1B1NR1H3
SCHEMBL788314 0.85 CA12 (0.50) TYRCA12CA9AKR1B1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263339-A1 AGENT FOR EXTERNAL APPLICATION TO THE SKIN KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKY (JP) 2009-10-22 US disclosed
EP-1894558-A1 AGENT FOR EXTERNAL APPLICATION TO THE SKIN Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2008-03-05 EP disclosed