SCHEMBL8828839

SCHEMBL8828839

CC(=C(C)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
LMNA P02545 1/20 0.46
PTBP1 P26599 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
METTL3 Q86U44 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR7 P34969 1/20 0.41
MAPT P10636 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
SCHEMBL8828837 1.00 CES2 (0.52) CES2CES1CA1CA2LMNA
SCHEMBL21281501 1.00 CES2 (0.52) CES2CES1CA1CA2LMNA
SCHEMBL14960313 0.88 CES2 (0.48) CES2CES1CA1CA2LMNA
SCHEMBL2172683 0.84 CES2 (0.44) CES2CES1CA1CA2LMNA
SCHEMBL2172686 0.84 CES2 (0.44) CES2CES1CA1CA2LMNA
SCHEMBL27355096 0.84 NOS1 (0.48) CES2CES1CA1CA2LMNA
SCHEMBL1515113 0.81 CES2 (0.52) CES2CES1CA1CA2LMNA
SCHEMBL5801949 0.79 CES2 (0.50) CES2CES1CA1CA2LMNA
SCHEMBL27363076 0.79 CES2 (0.50) CES2CES1CA1CA2LMNA
SCHEMBL19904128 0.78 KMT2A (0.49) LMNASMN1; SMN2ACHENPC1RAB9A

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-5639849-A CHARGE GENERATING FILM LAYERS FOR ELECTROGRAPHY HAY ALLAN S (CA) 1997-06-17 US disclosed
US-5545832-A CAST AS FILMS WHICH MAY FORM CHARGE GENERATING LAYER OF ELECTROGRAPHY DEVICE HAY ALLAN S (CA) 1996-08-13 US disclosed
US-5430124-A Charge generating compounds; electrography, laser printing HAY ALLAN S (CA) 1995-07-04 US disclosed
US-5369203-A Polyethers containing fumaronitrile groups, charge generating compounds for electrography HAY ALLAN S (CA) 1994-11-29 US disclosed