SCHEMBL29919375

SCHEMBL29919375

O=C(O)C1CCC(Cl)(Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
GRM2 Q14416 2/20 0.45
GRM3 Q14832 2/20 0.45
GRM4 Q14833 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM5 P41594 1/20 0.45
MTOR P42345 1/20 0.45
GRM1 Q13255 1/20 0.45
PLCB1 Q9NQ66 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL895276 0.80 GRM2 (0.47) TSHRLMNAGRM2GRM3GRM4
SCHEMBL8004566 0.78 CYP2C19 (0.52) TSHRLMNAGRM2GRM3GRM4
SCHEMBL848416 0.76 CYP2C19 (0.50) TSHRLMNAGRM2GRM3GRM4
SCHEMBL12971036 0.76 TSHR (0.46) TSHRLMNAGRM2GRM3GRM4
SCHEMBL28961022 0.74 GRM2 (0.50) TSHRLMNAGRM2GRM3GRM4
SCHEMBL7036505 0.74 GRM2 (0.50) TSHRLMNAGRM2GRM3GRM4
SCHEMBL15741164 0.74 TSHR (0.45) TSHRLMNAGRM2GRM3GRM4
SCHEMBL27691317 0.74 GRM4 (0.56) TSHRLMNAGRM2GRM3GRM4
SCHEMBL18199 0.74 TSHR (0.45) TSHRLMNAGRM2GRM3GRM4
SCHEMBL4443561 0.74 APLNR (0.56) TSHRLMNAGRM2GRM3GRM4

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-114957357-A Aminoglycoside derivatives and their use in the treatment of genetic disorders ELOXX制药有限公司 2022-08-30 CN disclosed