SCHEMBL5583574

SCHEMBL5583574

COc1cc(OC)c(OCc2ccccc2)c(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
RXRA P19793 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL14458094 0.91 MAOB (0.46) SRD5A1SRD5A2MRGPRX4RXRAHPGD
SCHEMBL5583626 0.90 HPGD (0.56) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4684362 0.88 MEN1 (0.49) SRD5A1SRD5A2MRGPRX4RXRAHPGD
SCHEMBL6372275 0.83 LMNA (0.42) SRD5A1SRD5A2MRGPRX4HPGDLMNA
SCHEMBL14458100 0.83 PTPN1 (0.48) SRD5A1SRD5A2MRGPRX4HPGDLMNA
SCHEMBL5583599 0.81 LMNA (0.52) HPGDLMNAMEN1KMT2ASMPD1
SCHEMBL6374798 0.80 LMNA (0.55) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5583791 0.80 RXRA (0.50) SRD5A1SRD5A2MRGPRX4RXRAHPGD
SCHEMBL8882852 0.80 RXRA (0.50) SRD5A1SRD5A2MRGPRX4RXRAHPGD
SCHEMBL5583635 0.80 RXRA (0.50) SRD5A1SRD5A2MRGPRX4RXRAHPGD

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
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1054011-B1 NOVEL ANTIFUNGAL COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA (JP) 2006-09-13 EP disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
EP-1054011-A1 NOVEL ANTIFUNGAL COMPOUNDS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-11-22 EP disclosed