SCHEMBL9903750

SCHEMBL9903750

C=C(C)C(=O)OCCCc1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
THRB P10828 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAAA Q02083 1/20 0.37
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGES O14684 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
SCHEMBL9902502 0.91 THRB (0.45) TSHRTDP1POLBAPEX1HTT
SCHEMBL27927061 0.87 TSHR (0.52) TSHRTDP1POLBAPEX1HTT
SCHEMBL8733212 0.82 TSHR (0.55) TSHRTDP1POLBAPEX1HTT
SCHEMBL9075028 0.81 SLC1A3 (0.44) TSHRTDP1POLBAPEX1HTT
SCHEMBL14944773 0.79 TSHR (0.55) TSHRTDP1POLBAPEX1HTT
SCHEMBL148938 0.78 LMNA (0.60) TSHRTDP1POLBAPEX1HTT
SCHEMBL28273043 0.78 HTT (0.49) TSHRTDP1POLBAPEX1HTT
SCHEMBL28694550 0.77 TSHR (0.49) TSHRTDP1POLBAPEX1HTT
SCHEMBL1921399 0.77 TSHR (0.49) TSHRTDP1POLBAPEX1HTT
Lithium SCHEMBL30708617 0.77 LMNA (0.58) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076288-A1 COMPOSITE COMPRISING NANOPARTICLES AND METHOD OF MAKING NANOPARTICLES UNIVERSITE DE LIEGE (BE) 2012-06-14 WO disclosed
EP-2462898-A1 Composite comprising nanoparticles and method for making nanoparticles Université de Liège (BE) 2012-06-13 EP disclosed