SCHEMBL8744673

SCHEMBL8744673

COC(=O)C1(C)CCC(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CCR5 P51681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
EPHX1 P07099 1/20 0.36
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR3 P25089 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1783397 0.85 TSHR (0.44) TSHRALDH1A1CCR5LMNAL3MBTL1
SCHEMBL28029632 0.82 TSHR (0.38) TSHRALDH1A1CCR5SMN1; SMN2LMNA
SCHEMBL8744676 0.81 TSHR (0.37) TSHRALDH1A1CCR5SMN1; SMN2LMNA
SCHEMBL2034156 0.81 TRPA1 (0.36) TSHRALDH1A1CCR5SMN1; SMN2TRPA1
SCHEMBL1787216 0.80 TSHR (0.36) TSHRALDH1A1CCR5SMN1; SMN2LMNA
SCHEMBL1787940 0.80 KMT2A (0.36) TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL9363325 0.79 POLB (0.39) TSHRALDH1A1CCR5SMN1; SMN2LMNA
SCHEMBL5350084 0.78 MAOB (0.40) TSHRALDH1A1CCR5SMN1; SMN2LMNA
SCHEMBL17589775 0.76 MAOB (0.36) TSHRALDH1A1CCR5SMN1; SMN2TRPA1
SCHEMBL28038102 0.76 SMN1; SMN2 (0.34) TSHRALDH1A1SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258404-A 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, method for preparation fungicides, and use thereof as intermediate compounds KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-11-02 US claimed
EP-0537909-B1 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, and their preparation and use KUREHA CHEMICAL IND CO LTD (JP) 1997-01-22 EP disclosed
US-5258404-A 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, method for preparation fungicides, and use thereof as intermediate compounds KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-11-02 US disclosed
EP-0537909-A1 3-(Unsubstituted or substituted benzyl)-1-alkyl-2-oxocyclopentane carboxylic acid alkyl ester derivatives, and their preparation and use KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-04-21 EP disclosed