SCHEMBL8735858

SCHEMBL8735858

CNn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(OC(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TOP1 P11387 1/20 0.39
TOP2A P11388 5/20 0.38
TOP2B Q02880 5/20 0.38
PIM1 P11309 2/20 0.37
GSK3B P49841 1/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL9773803 0.87 GSK3B (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8731834 0.86 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL2023894 0.84 KDM4E (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8735563 0.83 KDM4E (0.51) KDM4EALDH1A1POLBPIM1HPGD
SCHEMBL9387332 0.82 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8733989 0.80 KDM4E (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL3720416 0.80 TOP2A (0.58) KDM4EALDH1A1POLBTOP2ATOP2B
SCHEMBL8733567 0.79 KDM4E (0.48) KDM4EALDH1A1TOP1PIM1KCNH2
SCHEMBL9038570 0.79 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9094282 0.78 TOP2A (0.44) KDM4EALDH1A1POLBTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed