SCHEMBL3980356

SCHEMBL3980356

CC(C)(C)c1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.63
▸ CYP26B1 Q9NR63 2/20 0.56
▸ CYP26A1 O43174 1/20 0.56
▸ FFAR1 O14842 2/20 0.48
▸ HIF1A Q16665 1/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MAOA P21397 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ AHR P35869 1/20 0.42

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
SCHEMBL3925092 0.84 ESR1 (0.68) MAOBCYP26B1CYP26A1FFAR1HIF1A
SCHEMBL14840839 0.84 HIF1A (0.49) MAOBCYP26B1CYP26A1FFAR1HIF1A
SCHEMBL25012028 0.83 MAOB (0.51) MAOBCYP26B1CYP26A1FFAR1HIF1A
SCHEMBL4448303 0.81 APP (0.61) MAOBHIF1AMAOAKDM4EALDH1A1
SCHEMBL11827981 0.81 MAOB (0.62) MAOBMAOAKDM4EALDH1A1CYP3A4
SCHEMBL11614291 0.79 MAOB (0.59) MAOBCYP26B1CYP26A1MAOAKDM4E
SCHEMBL12369509 0.79 MAOB (0.67) MAOBCYP26B1CYP26A1HIF1AESR1
SCHEMBL16843540 0.78 PLA2G2A (0.68) KDM4EALDH1A1TP53CYP3A4MAPT
SCHEMBL3983367 0.77 MAOB (1.00) MAOBFFAR1ESR1ESR2MAOA
SCHEMBL3626409 0.77 MAOB (0.68) MAOBFFAR1ESR1ESR2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386909-B Method for synthesizing benzofuran derivative through copper-free ligand-free palladium catalyst 中国科学院青岛生物能源与过程研究所 2023-07-07 — — CN disclosed
CN-110386909-A A method of benzofuran derivatives are synthesized by no copper catalysis of ligand-free palladium agent 中国科学院青岛生物能源与过程研究所 2019-10-29 — — CN disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 — — US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 — — US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 — — US disclosed
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