SCHEMBL21436741

SCHEMBL21436741

CC(C)CCC(CCC(C)C)(CC(=O)O)C(=O)OO

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 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
SCHEMBL6236490 0.82 CYP2D6 (0.39) BLMFFAR1CPT2TDP1HMGCR
SCHEMBL19138766 0.78 CYP4F2 (0.46) TSHRHPGDHTT
SCHEMBL3667247 0.77 CYP2D6 (0.35) BLMFFAR1CPT2TDP1HMGCR
SCHEMBL17376801 0.76 TSHR (0.36) TSHRHPGDHTT
SCHEMBL10885776 0.76 FFAR1 (0.30) FFAR1CPT2TDP1HMGCRCHRM1
SCHEMBL10654543 0.76 BLM (0.39) BLMFFAR1CPT2TDP1HMGCR
SCHEMBL6240931 0.74 FFAR1 (0.36) BLMFFAR1CPT2TDP1KDM4C
SCHEMBL27691418 0.74 CCR2 (0.34) BLMHTTCA1
SCHEMBL7710974 0.73 FFAR1 (0.41) BLMFFAR1CPT2TDP1HMGCR
SCHEMBL4716771 0.73 BLM (0.50) BLMFFAR1CPT2TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210144995-A1 INSECT REPELLENT COMPOSITION COMPRISING ONE OR MORE INSECT REPELLENT FATTY ACID(S) HAVING BETWEEN 9 AND 21 CARBON ATOMS EVERGREEN LAND LIMITED (CN) 2021-05-20 US disclosed
EP-3772952-A2 INSECT-REPELLENT COMPOSITION COMPRISING ONE OR MORE INSECT-REPELLENT FATTY ACIDS HAVING BETWEEN 9 AND 21 CARBON ATOMS Evergreen Land Limited (HK) 2021-02-17 EP disclosed
WO-2019193561-A2 INSECT-REPELLENT COMPOSITION COMPRISING ONE OR MORE INSECT-REPELLENT FATTY ACIDS WITH FROM 9 TO 21 CARBON ATOMS EVERGREEN LAND LIMITED (CN) 2019-10-10 WO disclosed