SCHEMBL9038570

SCHEMBL9038570

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TOP1 P11387 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TOP2A P11388 5/20 0.39
TOP2B Q02880 5/20 0.39
PMP22 Q01453 1/20 0.39
PIM1 P11309 2/20 0.38
ADRA2B P18089 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
DRD3 P35462 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
SCHEMBL2023894 0.86 KDM4E (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9387332 0.84 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9773803 0.81 GSK3B (0.44) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8735858 0.79 KDM4E (0.40) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10901383 0.78 KDM4E (0.41) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL12638001 0.78 KDM4E (0.62) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL3400695 0.77 TOP2A (0.61) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL12831519 0.77 PIM1 (0.40) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10669670 0.76 KDM4E (0.57) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8129957 0.75 ALDH1A1 (0.44) KDM4EALDH1A1POLBTOP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 EP disclosed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 EP disclosed