SCHEMBL14614017

SCHEMBL14614017

C=CCC[C@@H](O)[C@H](C=C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL10951236 0.83 LMNA (0.34) CYP3A4ALDH1A1LMNA
SCHEMBL5503012 0.83 DDAH1 (0.33) MAPT
SCHEMBL5857517 0.74 DDAH1 (0.33) ALDH1A1
SCHEMBL9615298 0.74 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL3116666 0.73
SCHEMBL18710409 0.73
SCHEMBL1882200 0.72 FAAH (0.37) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL6905403 0.71
SCHEMBL7779029 0.71
SCHEMBL6905406 0.71

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-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed