SCHEMBL6426111

SCHEMBL6426111

CCC[C@@H](O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL1626843 1.00 FDPS (0.35) FDPSTSHRLMNATDP1CHRM1
SCHEMBL9299735 0.87
SCHEMBL12595644 0.84 GPR84 (0.39) FDPS
SCHEMBL28298551 0.83 TSHR (0.39) TSHRTDP1
SCHEMBL1928669 0.81 FDPS (0.33) FDPSTSHRLMNA
SCHEMBL4981689 0.80 GPR84 (0.50) LMNA
SCHEMBL8240466 0.80 GPR84 (0.50) LMNA
SCHEMBL8234190 0.80 GPR84 (0.50) LMNA
SCHEMBL8240228 0.80 GPR84 (0.50) LMNA
SCHEMBL8240389 0.80 GPR84 (0.50) LMNA

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-1676925-B1 Process for producing zeaxanthin and beta-cryptoxanthin JX NIPPON OIL & ENERGY CORP (JP) 2012-05-09 EP disclosed