SCHEMBL27929423

SCHEMBL27929423

CC(=O)c1c(-c2ccccc2)oc2cc3ccccc3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ ALDH1A1 P00352 10/20 0.51
▸ HPGD P15428 9/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ PRNP P04156 1/20 0.46

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
SCHEMBL11732285 0.81 L3MBTL1 (0.55) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL11733370 0.81 KDM4E (0.71) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL27911647 0.80 CASP3 (0.56) KDM4EALDH1A1HPGDLMNARAB9A
SCHEMBL11734827 0.79 ADORA3 (0.59) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL17943818 0.75 KDM4E (0.62) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL311250 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17940142 0.74 CYP3A4 (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27911689 0.73 SLC26A4 (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6827283 0.73 CA12 (0.47) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL17943841 0.72 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214506-B Cumarone or aphthofurans derivative and preparation method thereof SHANGHAI UNIVERSITY (CN) 2016-02-17 — — CN disclosed
CN-103214506-A Benzofuran or naphthofuran derivative and preparation method thereof UNIV SHANGHAI 2013-07-24 — — CN disclosed
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