SCHEMBL8769713

SCHEMBL8769713

CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C)CCCCCC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RARB P10826 7/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
RARA P10276 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
THRB P10828 5/20 0.48
THRA P10827 3/20 0.48
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL9165950 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL14525678 1.00 MAPT (0.53) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL15445304 0.96 THRB (0.51) MAPTSMN1; SMN2ALDH1A1THRBTHRA
SCHEMBL5683053 0.96 THRB (0.51) MAPTSMN1; SMN2ALDH1A1THRBTHRA
SCHEMBL6872017 0.93 ALDH1A1 (0.52) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL6872611 0.93 ALDH1A1 (0.52) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL8819895 0.93 RARB (0.59) MAPTRARBALDH1A1MEN1RARA
SCHEMBL6872703 0.92 TSHR (0.51) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL10427474 0.88 ALDH1A1 (0.48) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL10803265 0.88 THRB (0.54) MAPTSMN1; SMN2RARBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393460-A Liquid crystal composition, and element and device using the same SHOWA SHELL SEKIYU KABUSYIKI KAISHA (JP) 1995-02-28 US claimed
EP-0582519-A1 Liquid crystal composition, and element and device using the same Showa Shell Sekiyu Kabushiki Kaisha (JP) 1994-02-09 EP claimed
EP-0795777-A2 Liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-09-17 EP disclosed
US-5393460-A Liquid crystal composition, and element and device using the same SHOWA SHELL SEKIYU KABUSYIKI KAISHA (JP) 1995-02-28 US disclosed
EP-0418604-B1 Liquid crystal compound SHOWA SHELL SEKIYU (JP) 1994-08-03 EP disclosed
US-5308536-A Esterification of cinnamic acid derivatives with alcohols for liquid crystals SHOWA DENKO K.K. (JP) 1994-05-03 US disclosed
EP-0582519-A1 Liquid crystal composition, and element and device using the same Showa Shell Sekiyu Kabushiki Kaisha (JP) 1994-02-09 EP disclosed
US-5116531-A LIQUID CRYSTAL COMPOUND SHOWA SHELL SEKIYU K.K. (JP) 1992-05-26 US disclosed