SCHEMBL6522491

SCHEMBL6522491

O=C(c1ccc(F)cc1)[13C](=O)Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.71
CES1 P23141 2/20 0.71
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.45
TNFRSF1A P19438 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PHGDH O43175 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
BACE1 P56817 1/20 0.42
HTR7 P34969 1/20 0.41

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
SCHEMBL8386482 1.00 CES2 (0.71) CES2CES1CA1CA2BCL2L1
SCHEMBL716295 0.84 CES2 (1.00) CES2CES1CA1CA2BCL2L1
SCHEMBL1649 0.79 CES2 (0.62) CES2CES1CA1CA2BCL2L1
SCHEMBL28143683 0.79 CES2 (0.79) CES2CES1CA1CA2BCL2L1
SCHEMBL27340849 0.78 BCL2L1 (0.71) CES2CES1CA1CA2BCL2L1
SCHEMBL7929150 0.78 CES2 (0.54) CES2CES1CA1CA2BCL2L1
SCHEMBL8065627 0.78 CES2 (0.76) CES2CES1CA1CA2
SCHEMBL11470993 0.77 CPT1B (0.61) CES2CES1CA1CA2PTPN1
SCHEMBL16340223 0.77 CES2 (0.84) CES2CES1CA1CA2BCL2L1
Hydrochloric Acid SCHEMBL630595 0.77 CES2 (0.59) CES2CES1CA1CA2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed