SCHEMBL30989573

SCHEMBL30989573

CCC1CCC(=O)/C1=C\N(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
CREBBP Q92793 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21134125 0.87 CCR6 (0.34) CCR6
SCHEMBL11236325 0.84 CCR6 (0.38) CCR6
SCHEMBL11236329 0.84 CCR6 (0.38) CCR6
SCHEMBL27244325 0.76 MAP1LC3B (0.33) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL21134123 0.76 MAP1LC3B (0.33) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL27244359 0.76 MAP1LC3B (0.33) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL27244319 0.76 MAP1LC3B (0.33) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL24312359 0.74 POLL (0.33) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL30989575 0.72 MAP1LC3B (0.30) MAP1LC3BLMNAMAPTCYP2C9ALOX15
SCHEMBL26617703 0.69 CA1 (0.38) MAP1LC3BLMNAMAPTCYP2C9ALOX15

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-118215654-A AHR agonists 伊莱利利公司 2024-06-18 CN disclosed