SCHEMBL6829206

SCHEMBL6829206

CCC(CCCCCCO)(C(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ARG2 P78540 2/20 0.36
FFAR1 O14842 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ARG1 P05089 1/20 0.33
ACLY P53396 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL15512495 0.86 CES2 (0.41) FFAR1GPR84FFAR4ALDH1A1HSD17B10
SCHEMBL27939908 0.86 CYP4F2 (0.42) CYP4F2CYP4A11ARG2FFAR1GPR84
SCHEMBL28484927 0.85 CES2 (0.40) FFAR1GPR84FFAR4ALDH1A1HSD17B10
SCHEMBL4616593 0.82 AKR1B1 (0.34) FFAR1GPR84FFAR4ALDH1A1HSD17B10
SCHEMBL16418482 0.81 GPR84 (0.57) FFAR1GPR84FFAR4LMNAALDH1A1
SCHEMBL18748755 0.81 FFAR1 (0.46) CYP4F2CYP4A11ARG2FFAR1GPR84
SCHEMBL7775190 0.81 FFAR1 (0.46) CYP4F2CYP4A11ARG2FFAR1GPR84
SCHEMBL14739494 0.79 ARG2 (0.45) CYP4F2CYP4A11ARG2FFAR1GPR84
SCHEMBL10575269 0.78 MEN1 (0.31) ARG2ALDH1A1MEN1KMT2AARG1
SCHEMBL10875807 0.78 MEN1 (0.31) ARG2ALDH1A1MEN1KMT2AARG1

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
US-6743942-B1 ENVIRONMENTAL SAFETY; EASY SEPARATION, REGENERATION AND REUSE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2004-06-01 US disclosed