SCHEMBL3383699

SCHEMBL3383699

C=C(c1ccccc1)C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
MAPT P10636 4/20 0.59
NPSR1 Q6W5P4 2/20 0.59
XBP1 P17861 1/20 0.59
ATM Q13315 1/20 0.59
AKT1 P31749 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
PTGS1 P23219 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
RECQL P46063 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
SCHEMBL15834917 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL9867863 0.80 MAPT (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL31494766 0.80 MAPT (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL3383365 0.78 MAPT (0.48) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL8823334 0.77 KMT2A (0.55) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL649287 0.77 KMT2A (0.55) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL7854232 0.77 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL2636176 0.77 MAPT (0.47) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL693987 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL31494744 0.76 CES2 (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1

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-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed