SCHEMBL5821723

SCHEMBL5821723

COc1cc2c(c(O)c1OC)C(=O)C=C(O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.57
▸ PIM1 P11309 1/20 0.41
▸ MGAM O43451 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ SI P14410 3/20 0.41
▸ MGAM2 Q2M2H8 3/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ MAPT P10636 3/20 0.39

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
SCHEMBL10494191 0.89 EPHX2 (0.56) EPHX2CYP2C19CYP1A2CCNB2CDK1
SCHEMBL10494234 0.78 MAPT (0.41) EPHX2GAAGRIN2DGRIN3BGRIN1
SCHEMBL973797 0.76 CA1 (0.46) EPHX2CA1CA7CA9CYP3A4
SCHEMBL5820817 0.76 PIM1 (0.41) EPHX2PIM1MGAMGAASI
SCHEMBL23198991 0.75 EPHX2 (0.65) EPHX2MAPTTDP1KDM4EKMT2A
SCHEMBL27927334 0.74 EPHX2 (0.86) EPHX2PIM1MGAMGAASI
SCHEMBL29871062 0.73 EPHX2 (0.66) EPHX2PIM1MGAMGAASI
SCHEMBL16226754 0.73 EPHX2 (1.00) EPHX2PIM1MGAMGAASI
SCHEMBL31322006 0.73 EPHX2 (1.00) EPHX2PIM1MGAMGAASI
SCHEMBL29396060 0.73 EPHX2 (1.00) EPHX2PIM1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 — — WO disclosed
Send feedback