SCHEMBL28029632

SCHEMBL28029632

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.35
CCR5 P51681 1/20 0.35
SLC6A3 Q01959 3/20 0.34
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL1787216 0.87 TSHR (0.36) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1787940 0.87 KMT2A (0.36) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9363325 0.84 POLB (0.39) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8744673 0.82 TSHR (0.39) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8830782 0.81 POLB (0.42) ALDH1A1SMN1; SMN2LMNAPOLBSLC6A3
SCHEMBL8744676 0.80 TSHR (0.37) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL17994026 0.77 TSHR (0.39) TSHRALDH1A1SMN1; SMN2LMNACCR5
SCHEMBL17135347 0.76 TSHR (0.41) TSHRSMN1; SMN2LMNAPOLBEPHX1
SCHEMBL2033491 0.75 POLB (0.43) ALDH1A1SMN1; SMN2LMNAPOLBSLC6A3
SCHEMBL2034156 0.73 TRPA1 (0.36) TSHRALDH1A1SMN1; SMN2CCR5

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-104903305-A Method for producing cyclopentanone derivative, intermediate compound, and method for producing intermediate compound KUREHA CORP 2015-09-09 CN disclosed