SCHEMBL9850409

SCHEMBL9850409

CCCCCCCCc1ccc(-c2ccc(C(=O)OC(=O)OC(C)CCCCCC)cc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.48
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
PTAFR P25105 1/20 0.40
PLA2G1B P04054 5/20 0.40
ATG4B Q9Y4P1 5/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9350092 0.89 ALDH1A1 (0.45) ALDH1A1KMT2ATHRATHRB
SCHEMBL8610992 0.88 PTPN11 (0.48) RARBALDH1A1THRATHRB
SCHEMBL8469823 0.88 PTPN11 (0.48) RARBALDH1A1THRATHRB
SCHEMBL7857245 0.88 PTPN11 (0.48) RARBALDH1A1THRATHRB
SCHEMBL389088 0.85 ALDH1A1 (0.56) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7526386 0.82 PTGS2 (0.40) RARBALDH1A1MAPTPTAFR
SCHEMBL9795587 0.82 RARB (0.43) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2462657 0.81 ALDH1A1 (0.47) RARBALDH1A1MEN1RARAMAPT
SCHEMBL35683 0.81 RARB (0.58) RARBALDH1A1MEN1RARAMAPT
SCHEMBL6426200 0.81 RARB (0.51) RARBALDH1A1MEN1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418604-A1 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-03-27 EP disclosed