SCHEMBL8938022

SCHEMBL8938022

O=P(O)(O)C(c1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 12/20 1.00
▸ SRC P12931 1/20 0.44
▸ CNR2 P34972 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL11089244 0.77 ACP3 (0.63) ACP3CNR2
SCHEMBL777888 0.77 ACP3 (0.64) ACP3SRCIDO1TDO2
SCHEMBL232244 0.75 ACP3 (0.79) ACP3SRC
SCHEMBL20588340 0.75 ACP3 (0.66) ACP3SRC
SCHEMBL3884830 0.74 ACP3 (1.00) ACP3SRC
Hydrochloric Acid SCHEMBL1133241 0.73 ACP3 (0.76) ACP3SRC
SCHEMBL3289370 0.73 ACP3 (0.57) ACP3CNR2CACNA2D1CACNA1BCACNB1
SCHEMBL3294921 0.73 ACP3 (0.57) ACP3CNR2CACNA2D1CACNA1BCACNB1
SCHEMBL30986703 0.73 ACP3 (0.57) ACP3CNR2CACNA2D1CACNA1BCACNB1
SCHEMBL2390807 0.72 ACP3 (0.56) ACP3CNR2CACNA2D1CACNA1BCACNB1

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
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