SCHEMBL7999846

SCHEMBL7999846

O=C(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.80
CES1 P23141 9/20 0.80
SNCA P37840 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 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
SCHEMBL8070666 0.89 CES2 (1.00) CES2CES1SNCARAB9AL3MBTL1
SCHEMBL7088183 0.85 CES2 (0.62) CES2CES1SNCAKDM4ERAB9A
SCHEMBL8609990 0.82 CES2 (0.63) CES2CES1SNCACA1CA2
SCHEMBL29880739 0.82 CES2 (0.63) CES2CES1SNCACA1CA2
SCHEMBL716295 0.80 CES2 (1.00) CES2CES1CA1CA2RAB9A
SCHEMBL7715988 0.79 CES2 (0.79) CES2CES1SNCACA1CA2
SCHEMBL17416961 0.79 CES2 (0.59) CES2CES1RAB9ASMN1; SMN2
SCHEMBL7777968 0.78 CES2 (0.76) CES2CES1SNCAL3MBTL1HDAC1
SCHEMBL13291390 0.76 CES2 (0.74) CES2CES1SNCARAB9AL3MBTL1
SCHEMBL14431511 0.74 CES2 (0.59) CES2CES1SNCACA1CA2

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-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 US disclosed
WO-2000054103-A1 CHIRAL POLYMER COMPOSITIONS EXHIBITING NONLINEAR OPTICAL PROPERTIES MOLECULAR OPTOELECTRONICS CORPORATION (US) 2000-09-14 WO disclosed