SCHEMBL10076899

SCHEMBL10076899

CC(C)(CN)CCC(C)(C)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.74
FFAR1 O14842 1/20 0.60
CPT2 P23786 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
BHMT Q93088 3/20 0.44
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
TSHR P16473 1/20 0.42
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL704537 0.87
SCHEMBL2999282 0.87 FFAR1 (0.75) KDM4EFFAR1CPT2TDP1BHMT
Hydrochloric Acid SCHEMBL3080866 0.85 KDM4E (1.00) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL18102386 0.81 KDM4E (0.55) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL14314268 0.81 KDM4E (0.74) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL21451611 0.81 FFAR1 (0.60) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL24451149 0.79 FFAR1 (0.58) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL27783690 0.78 FFAR1 (0.62) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL12179966 0.78 FFAR1 (0.62) KDM4EFFAR1CPT2TDP1BHMT
SCHEMBL1768629 0.78 KDM4E (0.56) KDM4EFFAR1CPT2TDP1CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019192163-A1 PREPARATION AND APPLICATION OF A SMART SUPRAMOLECULAR VESICLE FUNCTIONALIZED BY NEAR-INFRARED DYE 南京邮电大学 2019-10-10 WO disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed