SCHEMBL13023587

SCHEMBL13023587

CCCC1CCC(C2CCC(c3ccc(OC)cc3)OC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD2 P14416 1/20 0.41
FASN P49327 1/20 0.38
MAPT P10636 3/20 0.36
PTAFR P25105 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL13023612 0.89 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL10552826 0.89 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL10552244 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL10552239 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL10634759 0.85 DRD2 (0.42) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL10634754 0.85 DRD2 (0.42) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL10552455 0.85 FASN (0.49) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL13023626 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3DRD2FASN
SCHEMBL19681571 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL13065539 0.82 FASN (0.38) FASNMAPTCYP2C9ALDH1A1LMNA

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
US-7842357-B2 Tetrahydropyran compound, liquid crystal, composition and liquid crystal display device containing the liquid crystal composition CHISSO CORPORATION (JP) 2010-11-30 US disclosed