SCHEMBL30456667

SCHEMBL30456667

CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 7/20 0.79
AKR1B1 P15121 3/20 0.79
CA12 O43570 2/20 0.79
CA2 P00918 2/20 0.79
CA4 P22748 2/20 0.79
CA7 P43166 2/20 0.79
ACHE P22303 1/20 0.79
NQO2 P16083 1/20 0.75
GAA P10253 5/20 0.75
POLB P06746 4/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
APEX1 P27695 2/20 0.75
RECQL P46063 2/20 0.75
XDH P47989 2/20 0.75
EPHX2 P34913 3/20 0.70
RPS6KA3 P51812 2/20 0.69
KDM4E B2RXH2 4/20 0.69
MAPT P10636 2/20 0.68
ALPL P05186 2/20 0.68
ALPI P09923 2/20 0.68

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
SCHEMBL9993267 1.00 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL572182 1.00 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL31720497 1.00 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30217549 1.00 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30637576 1.00 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL2164091 0.97 P4HB (0.73) P4HBAKR1B1CA12CA2CA4
SCHEMBL31236368 0.95 P4HB (0.84) P4HBAKR1B1CA12CA2CA4
SCHEMBL31236361 0.95 P4HB (0.84) P4HBAKR1B1CA12CA2CA4
SCHEMBL30106662 0.95 P4HB (0.84) P4HBAKR1B1CA12CA2CA4
SCHEMBL31236369 0.95 P4HB (0.84) P4HBAKR1B1CA12CA2CA4

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-2023108018-A1 POINT MUTATIONS THAT BOOST AROMATIC AMINO ACID PRODUCTION AND CO2 ASSIMILATION IN PLANTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-06-15 WO disclosed