SCHEMBL24514601

SCHEMBL24514601

COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ TP53 P04637 1/20 0.73
▸ MDM2 Q00987 1/20 0.73
▸ ABCG2 Q9UNQ0 1/20 0.73
▸ CYP1A1 P04798 3/20 0.62
▸ CYP1B1 Q16678 2/20 0.62
▸ CYP1A2 P05177 2/20 0.61
▸ OPRD1 P41143 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.60
▸ ACHE P22303 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL7156543 0.98 ABCB1 (0.69) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL24514598 0.97 ABCB1 (0.68) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL4649969 0.96 ABCB1 (0.73) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL8068919 0.96 ABCB1 (0.73) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL8052863 0.95 ABCB1 (0.64) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL8052929 0.94 ABCB1 (0.69) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL21206267 0.94 ABCB1 (0.73) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL30376265 0.94 ABCB1 (0.73) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL24514602 0.92 CYP1A1 (0.75) ABCB1MEN1KMT2ATP53MDM2
SCHEMBL1977048 0.91 ABCB1 (0.59) ABCB1MEN1KMT2ATP53MDM2

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
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