SCHEMBL8533984

SCHEMBL8533984

CC(=O)CCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 5/20 0.41
HSP90AA1 P07900 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14341887 0.83 KDM4E (0.56) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL1075076 0.80 ALDH1A1 (0.49) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL4474354 0.78 ALDH1A1 (0.47) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL2526513 0.78 ALDH1A1 (0.47) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL1072478 0.77 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD11B1HSP90AA1
SCHEMBL25568411 0.77 ALDH1A1 (0.52) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL10775431 0.76 ALDH1A1 (0.66) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL5406329 0.75 EPHX2 (0.59) ALDH1A1TSHRLMNAHSD11B1
SCHEMBL2762356 0.75 ALDH1A1 (0.51) ALDH1A1TSHRLMNAKDM4EHTT
SCHEMBL8073574 0.75 EPHX1 (0.44) ALDH1A1TSHRLMNAHTTHSD11B1

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed