SCHEMBL28259241

SCHEMBL28259241

O=C(O)CC1CCCC1(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.38
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10006267 0.72 GRM2 (0.41) GRM2GRM5GRM1CYP1A2CYP2C19
SCHEMBL6225584 0.72 GRM2 (0.60) GRM2GRM5GRM1ARG1ARG2
SCHEMBL6225595 0.72 GRM2 (0.60) GRM2GRM5GRM1ARG1ARG2
SCHEMBL6225590 0.72 GRM2 (0.60) GRM2GRM5GRM1ARG1ARG2
SCHEMBL5191234 0.72 GRM2 (0.41) GRM2GRM5GRM1CYP1A2CYP2C19
SCHEMBL4161113 0.71 CYP1A2 (0.41) CYP1A2CYP2C19USP2ALDH1A1LMNA
SCHEMBL14892530 0.71 GRM2 (0.42) GRM2GRM5GRM1CYP1A2CYP2C19
SCHEMBL28405077 0.70 CYP2C19 (0.42) GRM2GRM5GRM1CYP1A2CYP2C19
SCHEMBL29131154 0.70 CYP2C19 (0.42) GRM2GRM5GRM1CYP1A2CYP2C19
SCHEMBL11243667 0.69 GRM2 (0.39) GRM2GRM5GRM1CYP1A2CYP2C19

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-106459372-B Include the rubber composition by polycarboxylic acid crosslinked epoxidation elastomer 米其林集团总公司 2018-12-07 CN disclosed