SCHEMBL29130690

SCHEMBL29130690

CCC1CCC(CC)C1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GANAB Q14697 1/20 0.35
FUCA1 P04066 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
GBA1 P04062 2/20 0.33
SHBG P04278 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
SCHEMBL2310756 0.88 CA1 (0.42) MGAMGAASIMGAM2GANAB
SCHEMBL5868471 0.85
SCHEMBL25618311 0.81 FUCA1 (0.34) MGAMGAASIMGAM2FUCA1
SCHEMBL3479822 0.79 FUCA1 (0.37) MGAMGAASIMGAM2FUCA1
SCHEMBL12166586 0.79 MGAM (0.32) MGAMGAASIMGAM2
SCHEMBL16411427 0.78
SCHEMBL2287269 0.78
SCHEMBL24903255 0.77 TRPA1 (0.39) MGAMGAASIMGAM2
SCHEMBL12166632 0.77 CA1 (0.56) MGAMGAASIMGAM2CA1
SCHEMBL8009968 0.75 CA1 (0.34) MGAMGAASIMGAM2CA1

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
CN-117303995-A Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel 西北工业大学重庆科创中心 2023-12-29 CN claimed
CN-117303995-A Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel 西北工业大学重庆科创中心 2023-12-29 CN disclosed