SCHEMBL6282209

SCHEMBL6282209

CC1(C)CCC[C@]2(C)c3ccc(O)cc3CCC12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.66
NR1H2 P55055 4/20 0.55
NR1H3 Q13133 4/20 0.55
USP2 O75604 2/20 0.54
CYP3A4 P08684 2/20 0.54
HSP90AA1 P07900 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
KARS1 Q15046 3/20 0.51
CYP19A1 P11511 1/20 0.51
RXRA P19793 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL7024094 0.83 SOD1 (0.77) SOD1NR1H2NR1H3CYP3A4KARS1
SCHEMBL15588775 0.83 SOD1 (0.77) SOD1NR1H2NR1H3CYP3A4KARS1
SCHEMBL14696167 0.83 SOD1 (0.77) SOD1NR1H2NR1H3CYP3A4KARS1
SCHEMBL2994458 0.82 SOD1 (0.75) SOD1NR1H2NR1H3CYP3A4KARS1
SCHEMBL31456047 0.81 CYP3A4 (0.52) SOD1USP2CYP3A4HSP90AA1KDM4E
SCHEMBL15899658 0.81 CYP3A4 (0.72) CYP3A4MEN1TP53MAPTMAPK1
SCHEMBL6319708 0.81 CYP3A4 (0.72) CYP3A4MEN1TP53MAPTMAPK1
SCHEMBL6280790 0.81 CYP3A4 (0.72) CYP3A4MEN1TP53MAPTMAPK1
SCHEMBL12234042 0.80 ENTPD5 (0.63) SOD1NR1H2NR1H3USP2CYP3A4
SCHEMBL12234033 0.80 ENTPD5 (0.63) SOD1NR1H2NR1H3USP2CYP3A4

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
JP-2005239649-A METHOD FOR PRODUCING 13-HYDROXYPODOCARPA-8,11,13-TRIENE-BASED COMPOUND ARAKAWA CHEM IND CO LTD 2005-09-08 JP disclosed