SCHEMBL8835766

SCHEMBL8835766

COc1ccc(CCNCCCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.70
▸ ABCB1 P08183 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ PARP14 Q460N5 1/20 0.45
▸ AKT1 P31749 1/20 0.44

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
SCHEMBL8790024 0.99 ABCG2 (0.71) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8788465 0.97 ABCG2 (0.72) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8790060 0.97 ABCG2 (0.72) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789970 0.97 ABCG2 (0.70) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789266 0.95 ABCG2 (0.72) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789555 0.95 ABCG2 (0.77) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789900 0.91 ABCG2 (0.68) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789922 0.90 ABCG2 (0.55) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8789610 0.89 ABCG2 (0.66) ABCG2ABCB1LMNAL3MBTL1MEN1
SCHEMBL8790230 0.89 ABCG2 (0.66) ABCG2ABCB1LMNAL3MBTL1MEN1

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
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 — — US disclosed
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