SCHEMBL8140673

SCHEMBL8140673

Cc1ccc(/C=C/C(N)=O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
HSP90AA1 P07900 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PELI1 Q96FA3 1/20 0.44
DDAH1 O94760 1/20 0.42
NFE2L2 Q16236 1/20 0.41
SLC9A3 P48764 2/20 0.41
SLC9A1 P19634 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
SCHEMBL2130414 1.00 CYP1A1 (0.54) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL28632211 0.85 TDP1 (0.52) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL28632210 0.85 TDP1 (0.52) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL14007608 0.84 PELI1 (0.43) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL517599 0.84 PELI1 (0.46) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL28008787 0.84 PELI1 (0.43) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL14303656 0.83 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL584566 0.83 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL31356822 0.83 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL2865211 0.83 CYP1A1 (0.55) CYP1A1CYP1B1MEN1KMT2AKDM4E

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-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
CN-1049224-C Polymers as alignment layer ROLIC AG (CH) 2000-02-09 CN disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed
CN-1091458-A Polymkeric substance as oriented layer HOFFMANN LA ROCHE (CH) 1994-08-31 CN disclosed