SCHEMBL18487341

SCHEMBL18487341

CC(C)=CCC(C(=O)O)C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
GAA P10253 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
SCHEMBL9182811 0.79 KDM4E (0.40) KDM4EALDH1A1TDP1CYP2C9CYP2C19
SCHEMBL28601574 0.76 CYP1A2 (0.37) KDM4EALDH1A1TDP1CYP2C9CYP2C19
SCHEMBL18487344 0.75 KDM4E (0.36) KDM4EALDH1A1TDP1CYP2C9CYP2C19
SCHEMBL28605685 0.71 FOLH1 (0.33) GRIK1GRIK2ALDH1A1TDP1CYP2C9
SCHEMBL6841082 0.70 ALDH1A1 (0.33) GRIK1GRIK2KDM4EALDH1A1TDP1
SCHEMBL9183927 0.70 ALDH1A1 (0.35) KDM4EALDH1A1TDP1
SCHEMBL6261804 0.69 ALDH1A1 (0.33) ALDH1A1TDP1GAA
SCHEMBL11578103 0.69 GRIK1 (0.34) GRIK1GRIK2ALDH1A1
SCHEMBL10981549 0.67 CPN1 (0.38) ALDH1A1CYP2C9CYP2C19HIF1ACPN1
SCHEMBL10981548 0.67 CPN1 (0.38) ALDH1A1CYP2C9CYP2C19HIF1ACPN1

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