SCHEMBL27411501

SCHEMBL27411501

C=COC(=O)C(=CC)C(=CC)CCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SLC15A2 Q16348 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
SCHEMBL2832885 0.74
SCHEMBL27476486 0.74 EGLN1 (0.43) TSHRNFKB1LMNAALKBH5SUCNR1
SCHEMBL28096586 0.73 KDM4E (0.35) TSHR
SCHEMBL19278925 0.71 EGLN1 (0.39) SLC6A2SLC6A4BLMSLC6A3MEN1
Succinic Acid SCHEMBL4123721 0.70 LMNA (0.46) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11867000 0.69
SCHEMBL27540676 0.69 TSHR (0.30) TSHR
SCHEMBL8418278 0.69 ALDH1A1 (0.34) TSHR
SCHEMBL8502751 0.69
SCHEMBL181359 0.69 ALDH1A1 (0.37) TSHR

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-1100805-C Method of making polyurethane foam KAO CORP (JP) 2003-02-05 CN disclosed
CN-1166502-A Method of making polyurethane foam KAO CORP (JP) 1997-12-03 CN disclosed