SCHEMBL8957013

SCHEMBL8957013

C=CCOP(=O)(Cc1cccc(C(F)(F)F)c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
IDO1 P14902 2/20 0.40
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
THRB P10828 1/20 0.38
MAPT P10636 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL29427108 0.90 ACP3 (0.60) ACP3PGK1PGK2IDO1LMNA
SCHEMBL1832383 0.90 ACP3 (0.60) ACP3PGK1PGK2IDO1LMNA
SCHEMBL8957011 0.82 ACP3 (0.55) ACP3PGK1PGK2IDO1LMNA
SCHEMBL9551650 0.81 ACP3 (0.51) ACP3PGK1PGK2IDO1LMNA
SCHEMBL11327658 0.80 NPY5R (0.45) NPSR1MAPTMAPK1
SCHEMBL8957026 0.79 ACP3 (0.48) ACP3PGK1PGK2IDO1LMNA
SCHEMBL8957047 0.79 ACP3 (0.48) ACP3PGK1PGK2IDO1LMNA
SCHEMBL8956972 0.78 ACP3 (0.68) ACP3PGK1PGK2IDO1LMNA
SCHEMBL8957015 0.77 ACP3 (0.57) ACP3PGK1PGK2IDO1LMNA
SCHEMBL8957041 0.76 ACP3 (0.48) ACP3PGK1PGK2IDO1LMNA

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
US-5532226-A FOR INCREASING BONE FORMATION AND BONE MASS IN MAMMALS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-07-02 US claimed
US-5532226-A FOR INCREASING BONE FORMATION AND BONE MASS IN MAMMALS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-07-02 US disclosed
US-5300687-A Trifluoromethylbenzylphosphonates useful in treating osteoporosis ORTHO PHARMACEUTICAL CORPORATION (US) 1994-04-05 US disclosed
EP-0524023-A1 Trifluoromethylbenzylphosphonates useful in treating osteoporosis ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-20 EP disclosed