SCHEMBL28029670

SCHEMBL28029670

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
FFAR3 O14843 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL3147863 0.83 ALDH1A1 (0.36) TDP1
SCHEMBL17330921 0.80 PGD (0.37) PGDSLC22A6TDP1SMN1; SMN2HMGCR
SCHEMBL11121402 0.77 PGD (0.35) PGDSLC22A6TDP1SMN1; SMN2HMGCR
SCHEMBL11140342 0.73 PGD (0.38) PGDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5150731 0.71 SLC22A6 (0.36) PGDSLC22A6TDP1FFAR3GPR84
SCHEMBL5138294 0.71 TSHR (0.33) SMN1; SMN2
SCHEMBL3884302 0.70 TDP1 (0.39) PGDSLC22A6TDP1FFAR3GPR84
SCHEMBL28194885 0.70 SLC22A6 (0.35) PGDSLC22A6TDP1FFAR3GPR84
SCHEMBL8808571 0.67 SLC22A6 (0.32) PGDSLC22A6TDP1FFAR3GPR84
SCHEMBL20215029 0.66 TAAR1 (0.43)

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
CN-104902898-A Diazole lactams CHEMOCENTRYX INC 2015-09-09 CN disclosed