SCHEMBL3003407

SCHEMBL3003407

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)COc1ccc(C2=CC(=O)NC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.48
GPBAR1 Q8TDU6 2/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
EFNA1 P20827 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SRD5A1 P18405 4/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRD5A2 P31213 3/20 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
SCHEMBL21359963 0.84 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL28541742 0.82 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL28541744 0.82 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL2996584 0.82 EPHA2 (0.51) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL3003403 0.80 CDC25A (0.56) SRD5A1CYP2D6CYP2C19SRD5A2INPP5D
SCHEMBL25367841 0.79 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL15939992 0.79 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL29558557 0.79 GPBAR1 (0.64) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL8906583 0.78 EPHA2 (0.48) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL29081140 0.77 EPHA2 (0.60) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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
US-7787085-B2 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2010-08-31 US disclosed
US-20080123046-A1 OPTICAL ALIGNMENT METHOD AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORPORATION (JP) 2008-05-29 US disclosed
US-7074344-B2 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2006-07-11 US disclosed
US-20050259203-A1 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2005-11-24 US disclosed
EP-1353217-A1 Optical alignment method and liquid crystal display element JSR Corporation (JP) 2003-10-15 EP disclosed
US-20030087045-A1 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2003-05-08 US disclosed