SCHEMBL7537673

SCHEMBL7537673

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.55
CES1 P23141 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.40
SNCA P37840 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
Propene SCHEMBL27763924 0.73 CES2 (0.57) CES2CES1L3MBTL1NPC1
SCHEMBL1531080 0.72 CES2 (0.68) CES2CES1L3MBTL1SNCANPC1
SCHEMBL8070666 0.72 CES2 (1.00) CES2CES1L3MBTL1SNCANPC1
SCHEMBL13291390 0.72 CES2 (0.74) CES2CES1L3MBTL1SNCANPC1
SCHEMBL2834785 0.71 CES2 (0.55) CES2CES1L3MBTL1RAB9A
SCHEMBL6990872 0.71 CES2 (0.65) CES2CES1L3MBTL1SNCA
SCHEMBL6990865 0.71 CES2 (0.65) CES2CES1L3MBTL1SNCA
SCHEMBL5141306 0.70 CES2 (0.48) CES2CES1NPC1RAB9A
SCHEMBL7612594 0.70 CES2 (0.71) CES2CES1L3MBTL1SNCANPC1
SCHEMBL5605898 0.70 CES2 (0.71) CES2CES1L3MBTL1SNCANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242379-A1 CURCUMIN ANALOGUES FOR TREATING CANCER Emory University (US) 2002-09-25 EP claimed
WO-2001040188-A9 CURCUMIN ANALOGUES FOR TREATING CANCER UNIV EMORY (US) 2002-07-25 WO claimed
WO-2001040188-A1 CURCUMIN ANALOGUES FOR TREATING CANCER EMORY UNIVERSITY (US) 2001-06-07 WO claimed