SCHEMBL9406960

SCHEMBL9406960

CCCC[C@H]1CC[C@H](CCC(CO)CO)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.35
LSS P48449 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.31
REN P00797 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL9406967 1.00 CYP1A2 (0.48) CYP1A2MAPTLMNAHTTMAPK1
SCHEMBL19855027 0.89 LMNA (0.42) CYP1A2MAPTLMNAHTTMAPK1
SCHEMBL9406976 0.88 LMNA (0.37) CYP1A2MAPTLMNAHTTMAPK1
SCHEMBL9406978 0.88 LMNA (0.37) CYP1A2MAPTLMNAHTTMAPK1
SCHEMBL11743536 0.85 METAP1 (0.33)
SCHEMBL2668019 0.83 LMNA (0.41) CYP1A2MAPTLMNAHTTMAPK1
SCHEMBL10999008 0.81 ALDH1A1 (0.50) CYP1A2MAPTLMNAALDH1A1
SCHEMBL10997418 0.79 CYP1A2 (0.53) CYP1A2MAPTLMNAALDH1A1
SCHEMBL20882247 0.79
Methyl Alcohol SCHEMBL2872344 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354502-A Very large dielectric anisotropy and small birefringence SEIKO EPSON CORPORATION (JP) 1994-10-11 US disclosed
US-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0447565-A1 1,3-DIOXANE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME SEIKO EPSON CORPORATION (JP) 1991-09-25 EP disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed