SCHEMBL3383365

SCHEMBL3383365

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CES1 P23141 3/20 0.47
CES2 O00748 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.45
PTPN1 P18031 1/20 0.45
GSK3B P49841 1/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 2/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL3386407 0.88 SLC6A2 (0.44) MAPTSMN1; SMN2LMNAXBP1ATM
SCHEMBL11215655 0.84 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAXBP1ATM
SCHEMBL442090 0.83 MDM2 (0.59) MAPTLMNAATMCES1CES2
Fluoride SCHEMBL28046161 0.81 MDM2 (0.57) MAPTLMNAATMCES1CES2
SCHEMBL1704486 0.80 MDM2 (0.61) MAPTSMN1; SMN2LMNAATMCES1
SCHEMBL3383699 0.78 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAXBP1ATM
SCHEMBL10410771 0.78 LMNA (0.44) MAPTSMN1; SMN2LMNAXBP1ATM
Benzoic Acid SCHEMBL11308619 0.78 TSHR (0.54) MAPTCES1CES2ALDH1A1MEN1
SCHEMBL2636176 0.77 MAPT (0.47) MAPTSMN1; SMN2LMNAXBP1ATM
SCHEMBL28985808 0.77 LMNA (0.39) MAPTSMN1; SMN2LMNAXBP1ATM

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