SCHEMBL18487346

SCHEMBL18487346

CC(C)CCC(C(=O)O)C1C=CCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
BLM P54132 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
SCHEMBL28849344 0.85 TDP1 (0.36) KDM4EALDH1A1TDP1SLC1A3SLC1A2
SCHEMBL21061212 0.81 ALDH1A1 (0.33) CPA1KDM4EALDH1A1TDP1
SCHEMBL31615130 0.81 PSMB11 (0.40) SLC1A2SLC1A1
SCHEMBL31615088 0.80 GPR84 (0.42)
SCHEMBL4949744 0.80 GPR84 (0.42)
SCHEMBL18487344 0.79 KDM4E (0.36) CPA1KDM4EALDH1A1TDP1SLC1A3
SCHEMBL18187875 0.74 MAPT (0.32)
SCHEMBL8403201 0.74 MAPT (0.32)
SCHEMBL20959434 0.74 GRIK1 (0.35)
SCHEMBL12837727 0.73 MAPT (0.31)

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-2609184-B1 PERFUMERY COMPOSITIONS AND SYNTHESIS OF A ODORANT VAZE KEDAR RAMESH (IN) 2017-02-15 EP claimed