SCHEMBL8537221

SCHEMBL8537221

COC(=O)CCC(=O)C1(C)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 3/20 0.37
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL11376813 0.84 MGAM (0.39) TSHRKMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8533430 0.78 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2
SCHEMBL8536096 0.78 LMNA (0.39) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12676103 0.75 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2
SCHEMBL14865334 0.74 TSHR (0.46) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL3239419 0.73 ALDH1A1 (0.38) TSHRLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL19383627 0.73 ALDH1A1 (0.38) TSHRLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL3531364 0.73 MGAM (0.44) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL5505303 0.72 TSHR (0.48) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL5799860 0.72 TSHR (0.50) TSHRLMNAKMT2AALDH1A1EPHX2

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-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed