SCHEMBL8866950

SCHEMBL8866950

CCCS(=O)(=O)Nc1ccc(CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
KDR P35968 2/20 0.45
AURKB Q96GD4 2/20 0.45
AURKA O14965 1/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 1/20 0.44
CA6 P23280 1/20 0.43

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
SCHEMBL8867344 0.90 HPGD (0.61) HPGDLMNAHTTSMN1; SMN2ADRB2
SCHEMBL8867037 0.88 HPGD (0.67) HPGDLMNAHTTSMN1; SMN2CA12
SCHEMBL8866945 0.85 HPGD (0.53) HPGDLMNAHTTSMN1; SMN2ADRB2
SCHEMBL7761720 0.82 HPGD (0.58) HPGDLMNAHTTSMN1; SMN2CA12
SCHEMBL7761718 0.79 HPGD (0.55) HPGDLMNAHTTSMN1; SMN2ADRB2
SCHEMBL7847086 0.79 HPGD (0.66) HPGDLMNAHTTSMN1; SMN2CA12
SCHEMBL5452372 0.79 GAA (0.51) HPGDLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL9592749 0.77 HPGD (0.63) HPGDLMNAHTTSMN1; SMN2CA12
SCHEMBL20245278 0.77 HPGD (0.71) HPGDLMNAHTTSMN1; SMN2CA2
SCHEMBL10191923 0.77 CA1 (0.53) HPGDLMNAHTTSMN1; SMN2CA12

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed