SCHEMBL8733645

SCHEMBL8733645

CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(C(F)(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
PMP22 Q01453 1/20 0.41
TOP1 P11387 1/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 6/20 0.39
KCNH2 Q12809 2/20 0.39
ADRA2B P18089 1/20 0.39
MAPK1 P28482 1/20 0.39
PIM1 P11309 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10654313 0.89 KDM4E (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8064225 0.84 KDM4E (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8735871 0.81 KDM4E (0.57) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8733976 0.81 KDM4E (0.59) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL12917092 0.81 KCNH2 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9748530 0.80 KDM4E (0.47) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8064229 0.79 KDM4E (0.48) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9097687 0.78 TOP2A (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8137973 0.78 TOP2A (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL8138702 0.78 TOP2A (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1

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