SCHEMBL14463136

SCHEMBL14463136

CN1C(C)(C)CC(OCC(=O)O)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
TSHR P16473 4/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
PTGIR P43119 5/20 0.32
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10299820 0.88
SCHEMBL4410266 0.85 GAA (0.39) ITGB3ITGA2BTSHRKMT2ACYP2D6
SCHEMBL11359651 0.82 APEX1 (0.34) TSHRNFKB1CYP2C19KMT2A
SCHEMBL10299875 0.82 ITGB3 (0.33) ITGB3ITGA2BTSHRKMT2A
SCHEMBL8336968 0.80 POLB (0.34) KMT2ALMNAALDH1A1ESR1HSD17B10
SCHEMBL6249676 0.78
Acetic Acid SCHEMBL988128 0.77 TSHR (0.35) TSHRNFKB1CYP2C19KMT2AALDH1A1
SCHEMBL14372144 0.76
SCHEMBL11152233 0.76 NPC1 (0.30)
SCHEMBL7773275 0.76 GAA (0.46) ITGB3ITGA2BTSHRKMT2A

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-1134087-B1 Image forming method and recorded matter using same SEIKO EPSON CORP (JP) 2007-07-25 EP disclosed