SCHEMBL24514616

SCHEMBL24514616

COc1cc(-c2oc3cc(I)c(OC)c(O)c3c(=O)c2O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A1 P04798 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP1B1 Q16678 2/20 0.68
CA12 O43570 1/20 0.68
CA2 P00918 1/20 0.68
CA4 P22748 1/20 0.68
PPARG P37231 1/20 0.68
CA7 P43166 1/20 0.68
IPMK Q8NFU5 1/20 0.68
IP6K2 Q9UHH9 1/20 0.68
MKNK2 Q9HBH9 1/20 0.67
TUBB4A P04350 3/20 0.60
TUBB P07437 3/20 0.60
TUBA3C P0DPH7 3/20 0.60
TUBA1B P68363 3/20 0.60
TUBA4A P68366 3/20 0.60
TUBB4B P68371 3/20 0.60

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
SCHEMBL29647956 0.90 TUBB4A (0.74) XDHMEN1KMT2ACYP1A1CYP1A2
SCHEMBL19461012 0.90 TUBB4A (0.74) XDHMEN1KMT2ACYP1A1CYP1A2
SCHEMBL16760583 0.90 MKNK2 (0.82) XDHMEN1KMT2ACYP1A1CYP1A2
SCHEMBL12590386 0.83 MEN1 (0.69) XDHMEN1KMT2ACYP1A1CYP1A2
SCHEMBL31058466 0.82 MKNK2 (0.86) XDHMKNK2ABCG2NOX4ALOX5
SCHEMBL29649084 0.82 TUBB4A (0.86) XDHMEN1KMT2ACYP1A1CYP1A2
SCHEMBL13560795 0.82 TUBB4A (0.86) XDHMEN1KMT2ACYP1A1CYP1A2
Chrysosplenol B SCHEMBL2369883 0.82 ABCG2 (0.78) XDHMEN1KMT2AMKNK2TUBB4A
Chrysosplenol B SCHEMBL29558792 0.82 ABCG2 (0.78) XDHMEN1KMT2AMKNK2TUBB4A
SCHEMBL29143220 0.82 MKNK2 (0.86) XDHMKNK2ABCG2NOX4ALOX5

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-2022123573-A1 COMPOUNDS FOR TREATING EYE DISEASES AND DISORDERS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2022-06-16 WO disclosed