SCHEMBL9078074

SCHEMBL9078074

C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC4(CC4)C3)c(OC)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
HPGD P15428 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
KCNH2 Q12809 3/20 0.52
POLB P06746 1/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
OPRM1 P35372 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.42
TOP1 P11387 6/20 0.42
PMP22 Q01453 1/20 0.41
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9078737 0.90 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9080772 0.89 KCNH2 (0.45) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9080381 0.87 ALDH1A1 (0.45) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9078064 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9078747 0.86 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9079476 0.85 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9080367 0.85 KDM4E (0.72) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL4713049 0.84 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL7108974 0.84 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9079778 0.83 ALDH1A1 (0.44) KDM4EHPGDALDH1A1HSD17B10KCNH2

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-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed