SCHEMBL9717780

SCHEMBL9717780

COc1cc(C=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ TNFRSF1A P19438 1/20 0.72
▸ ABCG2 Q9UNQ0 3/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NQO1 P15559 1/20 0.65
▸ ABCB1 P08183 2/20 0.64
▸ KRAS P01116 4/20 0.63
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ ATM Q13315 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MAOA P21397 1/20 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
SCHEMBL18099393 1.00 MEN1 (0.74) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL30307328 0.93 RAB9A (0.71) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL3173746 0.88 TNFRSF1A (0.72) TNFRSF1AABCG2MAPTALDH1A1KDM4E
SCHEMBL28549138 0.88 ABCG2 (0.71) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL3173761 0.88 TNFRSF1A (0.72) TNFRSF1AABCG2MAPTALDH1A1KDM4E
SCHEMBL25257640 0.83 NPC1 (0.87) MEN1KMT2APOLBTNFRSF1ANPC1
SCHEMBL11959782 0.83 ABCG2 (0.72) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL998114 0.82 ABCG2 (0.65) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL28549137 0.82 RAB9A (0.73) MEN1KMT2APOLBTNFRSF1AABCG2
SCHEMBL998110 0.82 ABCG2 (0.65) MEN1KMT2APOLBTNFRSF1AABCG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112770755-A Compositions, syntheses, preparations and uses of analogs derived from position 7 and 9 of platform drug FL118 for treating human diseases 坎格特生物技术制药有限责任公司 2021-05-07 — — CN disclosed
US-5120862-A Cyclization with lewis acid in presence of acid anhydride catalyst BRISTOL-MYERS COMPANY (US) 1992-06-09 — — US disclosed
US-5086182-A Intermediates for the production of epipodophyllotoxin and related compounds and processes for the preparation and use thereof BRISTOL-MYERS COMPANY (US) 1992-02-04 — — US disclosed
US-5011948-A Cleavage of isoxazole rings, reduction to amine, cyclization, lactonization; anticarcinogenic agents BRISTOL-MYERS COMPANY (US) 1991-04-30 — — US disclosed
US-4866189-A ANTITUMOR, ANTICANCER AGENT BRISTOL-MYERS COMPANY (US) 1989-09-12 — — US disclosed
US-4795819-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1989-01-03 — — US disclosed
US-4728740-A ANTINEOPLASTIC BRISTOL-MYERS COMPANY (US) 1988-03-01 — — US disclosed
US-4644072-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1987-02-17 — — US disclosed
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