SCHEMBL784547

SCHEMBL784547

C=CC(=O)NC(CC)COC(=O)C(C)C(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ACACB O00763 2/20 0.32
HPGD P15428 1/20 0.30

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
SCHEMBL7594351 0.75 TAS1R3 (0.51) TSHRSMN1; SMN2LMNATAS1R3TAS1R1
SCHEMBL22080679 0.75 TSHR (0.47) TSHRSMN1; SMN2ALOX15CYP1A2LMNA
SCHEMBL17345216 0.75 TSHR (0.47) TSHRSMN1; SMN2ALOX15CYP1A2LMNA
SCHEMBL784546 0.74 TSHR (0.39) TSHR
SCHEMBL5170699 0.74 TSHR (0.56) TSHRSMN1; SMN2LMNAHTTTAS1R3
SCHEMBL784470 0.72 ZDHHC20 (0.40) TSHR
SCHEMBL28099147 0.71 TSHR (0.41) TSHRSMN1; SMN2ALOX15LMNATAS1R3
SCHEMBL25250018 0.70 TSHR (0.52) TSHRSMN1; SMN2LMNAHTTTAS1R3
SCHEMBL28647039 0.70 CA12 (0.41) TSHRTAS1R3TAS1R1
SCHEMBL28099149 0.70 TSHR (0.40) TSHRSMN1; SMN2LMNATAS1R3TAS1R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8708474-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8668322-B2 2014-03-11 US disclosed
US-20120069083-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed