SCHEMBL8448996

SCHEMBL8448996

CCCCc1ccc(OC(=O)C2CCC(CCCC)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
THRB P10828 4/20 0.48
THRA P10827 2/20 0.48
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ELANE P08246 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL8448989 1.00 F2 (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL11405609 0.96 F2 (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL19677630 0.95 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL22396364 0.95 THRB (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL10786522 0.95 THRB (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL11244561 0.95 THRB (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL8045353 0.95 F2 (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL8029232 0.95 F2 (0.55) F2THRBTHRAKMT2AHTT
SCHEMBL9398375 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT
SCHEMBL9398371 0.94 F2 (0.54) F2THRBTHRAKMT2AHTT

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
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed