SCHEMBL4393538

SCHEMBL4393538

CC1=CCOc2c1ccc1c2OCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.36
CYP19A1 P11511 2/20 0.36
PTGS2 P35354 1/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
BAD Q92934 2/20 0.32
AOC3 Q16853 3/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ACHE P22303 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL7271090 0.70 NQO2 (0.38) NQO2CYP19A1PTGS2TXNRD1TXNRD3
SCHEMBL8404593 0.68 ADRA2A (0.51) ALDH1A1MAPTACHEKDM4ECYP3A4
SCHEMBL8587914 0.66 NQO2 (0.44) NQO2CYP19A1TXNRD1TXNRD3TXNRD2
SCHEMBL19492639 0.66 NQO2 (0.47) NQO2CYP19A1PTGS2TXNRD1TXNRD3
SCHEMBL8334782 0.65 NQO2 (0.46) NQO2CYP19A1TXNRD1TXNRD3TXNRD2
SCHEMBL2195125 0.65 NQO2 (0.42) NQO2CYP19A1TXNRD1TXNRD3TXNRD2
SCHEMBL12446382 0.65 NQO2 (0.46) NQO2CYP19A1PTGS2TXNRD1TXNRD3
SCHEMBL9464905 0.64 MAOB (0.45) NQO2CYP19A1TXNRD1TXNRD3TXNRD2
SCHEMBL8404598 0.64 ADRA2A (0.51) CYP19A1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL8404596 0.64 CYP19A1 (0.41) CYP19A1ALDH1A1MAPTHSD17B10NPC1

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed