SCHEMBL8938041

SCHEMBL8938041

O=P(O)(Cc1cccc(C(F)(F)F)c1)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.66
PGK1 P00558 2/20 0.52
PGK2 P07205 2/20 0.52
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
NR4A2 P43354 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAOB P27338 4/20 0.46
IDO1 P14902 2/20 0.45
MLYCD O95822 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL22321991 0.93 ACP3 (0.56) ACP3PGK1PGK2PPARGPPARA
SCHEMBL8938053 0.86 ACP3 (0.55) ACP3PGK1PGK2PPARGPPARA
SCHEMBL8956972 0.81 ACP3 (0.68) ACP3PGK1PGK2NR4A2MAOB
SCHEMBL22321979 0.80 SRC (0.53) ACP3PGK1PGK2PPARGPPARA
SCHEMBL30438454 0.80 ACP3 (1.00) ACP3PGK1PGK2IDO1MLYCD
SCHEMBL8938031 0.80 ACP3 (1.00) ACP3PGK1PGK2IDO1MLYCD
SCHEMBL22321990 0.78 PPARG (0.52) ACP3PGK1PGK2PPARGPPARA
SCHEMBL30438735 0.77 ACP3 (0.49) ACP3PGK1PGK2PPARGPPARA
SCHEMBL22321978 0.76 KDM4E (0.50) ACP3PPARGPPARAMRGPRX4KDM4E
SCHEMBL17969143 0.76 ACP3 (0.59) ACP3PGK1PGK2MAOBIDO1

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

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