SCHEMBL8938053

SCHEMBL8938053

O=P(O)(CCc1cccc(C(F)(F)F)c1)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.55
TAAR1 Q96RJ0 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR4A2 P43354 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
KDM4E B2RXH2 2/20 0.45
FDFT1 P37268 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK14 Q16539 1/20 0.44
MAOB P27338 3/20 0.44
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
IDO1 P14902 1/20 0.43
MLYCD O95822 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL8938041 0.86 ACP3 (0.66) ACP3TAAR1PPARGPPARANR4A2
SCHEMBL22321991 0.82 ACP3 (0.56) ACP3PPARGPPARANR4A2MRGPRX4
SCHEMBL22321979 0.78 SRC (0.53) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL30438735 0.75 ACP3 (0.49) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL22321978 0.74 KDM4E (0.50) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL22321990 0.73 PPARG (0.52) ACP3PPARGPPARANR4A2MRGPRX4
SCHEMBL1276968 0.73 KDM4E (0.49) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL30438896 0.73 KDM4E (0.47) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL8938031 0.71 ACP3 (1.00) ACP3TAAR1MEN1KMT2APGK1
SCHEMBL30438454 0.71 ACP3 (1.00) ACP3TAAR1MEN1KMT2APGK1

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
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed