SCHEMBL8733567

SCHEMBL8733567

COCCn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(OC(F)F)c21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PMP22 Q01453 1/20 0.39
DRD3 P35462 1/20 0.39
TOP1 P11387 6/20 0.38
PIM1 P11309 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 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
SCHEMBL8733989 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735563 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8731834 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL10330788 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL8736415 0.81 CHRM1 (0.53) TOP1CHRM1
SCHEMBL9098398 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735858 0.79 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL12427278 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8503513 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8735880 0.77 KDM4E (0.49) KDM4EALDH1A1TOP1CHRM1

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