SCHEMBL9546083

SCHEMBL9546083

C=CC(=O)OC(CCC)CC(C)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.38
CTSK P43235 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL23494037 0.88 TSHR (0.44) TSHRHPGDCTSKSMN1; SMN2THRB
SCHEMBL9545994 0.85 TSHR (0.45) TSHRHPGDCTSKSMN1; SMN2THRB
SCHEMBL13896949 0.84 TSHR (0.42) TSHRHPGDCTSKSMN1; SMN2THRB
SCHEMBL28930602 0.82 TSHR (0.41) TSHRHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL1132293 0.82 TSHR (0.46) TSHRHPGDCTSKSMN1; SMN2THRB
SCHEMBL6046953 0.80 TSHR (0.41) TSHRHPGDCTSKSMN1; SMN2THRB
SCHEMBL971960 0.80 TSHR (0.41) TSHRHPGDCTSKMAPTSMN1; SMN2
SCHEMBL10681642 0.80 HCAR2 (0.50) CTSKALDH1A1
SCHEMBL10680600 0.80 HCAR2 (0.50) CTSKALDH1A1
SCHEMBL11207062 0.79 TSHR (0.39) TSHRHPGDSMN1; SMN2

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
WO-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed