SCHEMBL11106930

SCHEMBL11106930

CCC[CH]CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 2/20 0.37
SOAT1 P35610 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL9791806 0.84 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8893987 0.84 FAAH (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8621900 0.83 ALDH1A1 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11244901 0.81
SCHEMBL8866700 0.81 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16239754 0.81 ATM (0.50) ALDH1A1TSHRTDP1HCAR2NPSR1
SCHEMBL4366939 0.81 NR1I2 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10892991 0.80 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27629506 0.80 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10892994 0.80 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1

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-0051020-B1 SUBSTITUTED AZOBICYCLOOCTANECARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION UND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1984-08-08 EP claimed