SCHEMBL5583586

SCHEMBL5583586

COc1cnc(C(=O)O)c(OCc2ccccc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.51
RXRA P19793 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 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
SCHEMBL14458095 0.90 PDE4D (0.50) PDE4DRXRAHPGDLMNAATM
SCHEMBL5583838 0.89 LMNA (0.52) PDE4DRXRAMEN1KMT2AHPGD
SCHEMBL15746747 0.88 PTPN1 (0.50) PDE4DRXRAMRGPRX4MEN1KMT2A
SCHEMBL4685977 0.82 THRA (0.46) PDE4DRXRAMEN1KMT2AHPGD
SCHEMBL30468864 0.82 THRA (0.46) PDE4DRXRAMEN1KMT2AHPGD
SCHEMBL24257791 0.82 PTPN1 (0.49) RXRAMRGPRX4HPGDLMNASMN1; SMN2
SCHEMBL5583635 0.82 RXRA (0.50) PDE4DRXRAMRGPRX4MEN1KMT2A
SCHEMBL2264921 0.80 PTPN1 (0.48) PDE4DRXRAMRGPRX4HPGDLMNA
SCHEMBL5583650 0.80 PTPN1 (0.51) PDE4DMEN1KMT2AHPGDLMNA
SCHEMBL4681700 0.79 RXRA (0.50) RXRAMRGPRX4HPGDATMNPC1

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