SCHEMBL104023

SCHEMBL104023

C=Cc1ccc(OCOc2ccc(CC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SOD1 P00441 1/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL10226406 0.87 RXRA (0.54) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9943378 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL102870 0.85 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15915 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Arsenic SCHEMBL28835563 0.82 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Ethylene SCHEMBL28003592 0.82 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1796680 0.81 CHRNA7 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2CHRNB2
SCHEMBL20252729 0.80 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL103314 0.80 CHRNB2 (0.49) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL16022462 0.79 RXRA (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed