SCHEMBL30987828

SCHEMBL30987828

CC(C)(C)N(CC(=O)O)[C@H](CO)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
OR51E2 Q9H255 1/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
ADRA1A P35348 2/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 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
SCHEMBL3993907 0.75 TDP1 (0.31) TDP1EYA2APPACEADRA1A
SCHEMBL652071 0.73 TDP1 (0.36) TDP1OR51E2EYA2APPACE
SCHEMBL652072 0.73 TDP1 (0.36) TDP1OR51E2EYA2APPACE
SCHEMBL28773024 0.72 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1OR51E2
SCHEMBL29555225 0.71 TDP1 (0.35) TDP1OR51E2EYA2APPACE
SCHEMBL28236560 0.71 ALDH1A1 (0.31) ALDH1A1MAPTPTGS1OR51E2
SCHEMBL10361321 0.70 TDP1 (0.39) TDP1OR51E2EYA2APPACE
SCHEMBL30255148 0.69 BHMT (0.30) TDP1OR51E2EYA2APPACE
SCHEMBL3180399 0.67 OR51E2 (0.39) OR51E2
SCHEMBL199041 0.67

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-115804830-B Goserelin slow-release implant capable of shortening lag phase 浙江圣兆药物科技股份有限公司 2024-08-20 CN disclosed
CN-115778909-B Preparation method of goserelin acetate sustained-release implant 浙江圣兆药物科技股份有限公司 2024-07-30 CN disclosed