SCHEMBL28674229

SCHEMBL28674229

CC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C(C)(C)C1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
APLNR P35414 1/20 0.33

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
SCHEMBL4335552 0.65 GRM4 (0.44) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL9112825 0.62 GRM4 (0.34) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL4635770 0.62 ALDH1A1 (0.41) CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL8522673 0.61 APLNR (0.62) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL29064032 0.61 FFAR3 (0.48) CYP2C19ALDH1A1APLNR
SCHEMBL29046237 0.61 FFAR3 (0.41) CYP2C19ALDH1A1APLNR
SCHEMBL9094264 0.60 GRM4 (0.50) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL9130980 0.60 GRM4 (0.35) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL9025433 0.60 GRM4 (0.35) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL9129838 0.60 GRM4 (0.35) GRM4CYP2C19MEN1ALDH1A1CYP1A2

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-113667104-A Hyperbranched polyester and preparation method thereof 扬州帅帅高分子科技有限公司 2021-11-19 CN disclosed