SCHEMBL18179832

SCHEMBL18179832

CCC(C)(O)CCOC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NPC1 O15118 2/20 0.44
CASP1 P29466 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL30829597 0.86 LMNA (0.62) TSHRTDP1ESR1ALDH1A1CHRM1
SCHEMBL684816 0.86 RAB9A (0.50) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL15068275 0.79 MAPT (0.64) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL680463 0.78 ALDH1A1 (0.72) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL22198592 0.76 TSHR (0.53) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL21562135 0.76 MAPT (0.49) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL13609236 0.76 MAPT (0.49) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL6057132 0.75 TSHR (0.74) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL23522273 0.74 MAPT (0.58) MAPTTSHRTDP1ESR1ALDH1A1
SCHEMBL16640624 0.74 MAPT (0.60) MAPTTSHRTDP1ESR1ALDH1A1

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
US-20160311977-A1 POLYESTERAMIDE FOR 3D PRINTING XEROX CORPORATION 2016-10-27 US disclosed