SCHEMBL7200882

SCHEMBL7200882

CCCCc1ccc(C2(C(=O)OC)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
PLK1 P53350 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
AGTR1 P30556 1/20 0.45
KCNA3 P22001 1/20 0.44
SPHK1 Q9NYA1 5/20 0.44
SPHK2 Q9NRA0 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
RARB P10826 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL27700861 0.83 HRH3 (0.49) HRH3ALDH1A1KCNA3SMN1; SMN2
SCHEMBL8048203 0.83 MEN1 (0.57) PLK1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL5389754 0.83 ALDH1A1 (0.50) PLK1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL23582666 0.82 HRH3 (0.48) HRH3ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL27551549 0.81 ALDH1A1 (0.49) PLK1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL25380968 0.81 HRH3 (0.46) HRH3ALDH1A1KCNA3SMN1; SMN2
SCHEMBL23582817 0.81 HRH3 (0.47) HRH3ALDH1A1SMN1; SMN2
SCHEMBL5988607 0.80 ALDH1A1 (0.48) HRH3ALDH1A1KCNA3SMN1; SMN2CA1
SCHEMBL480053 0.80 HRH3 (0.45) HRH3ALDH1A1KCNA3SMN1; SMN2
SCHEMBL27730677 0.78 HRH3 (0.56) HRH3ALDH1A1POLBSMN1; SMN2THRB

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
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed