SCHEMBL9078064

SCHEMBL9078064

C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC4(CCC4)C3)c(F)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
HPGD P15428 8/20 0.47
HSD17B10 Q99714 8/20 0.47
ALDH1A1 P00352 8/20 0.47
PMP22 Q01453 1/20 0.47
KCNH2 Q12809 2/20 0.41
POLB P06746 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 4/20 0.40
TOP2B Q02880 3/20 0.40
ADRA2B P18089 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.38
TSHR P16473 1/20 0.38

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 0.96 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079778 0.91 ALDH1A1 (0.44) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9080772 0.89 KCNH2 (0.45) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9080381 0.87 ALDH1A1 (0.45) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9078074 0.87 KDM4E (0.52) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079800 0.85 KDM4E (0.66) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079551 0.85 ALDH1A1 (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9078290 0.85 KDM4E (0.66) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9636808 0.83 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL11188305 0.83 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22

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