SCHEMBL9902502

SCHEMBL9902502

C=C(C)C(=O)OCCc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL9903750 0.91 TSHR (0.45) THRBOPRM1OPRD1OPRK1CHRM5
SCHEMBL27927061 0.89 TSHR (0.52) THRBOPRM1OPRD1OPRK1CHRM5
SCHEMBL9075028 0.84 SLC1A3 (0.44) THRBTDP1HTTPOLBAPEX1
SCHEMBL723115 0.83 OPRM1 (0.47) OPRM1OPRD1OPRK1CHRM5CHRM1
Hydrochloric Acid SCHEMBL27528734 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL11921516 0.81 THRB (0.55) THRBTDP1HTTPOLBAPEX1
SCHEMBL28273043 0.80 HTT (0.49) THRBTDP1HTTPOLBAPEX1
SCHEMBL22566492 0.80 THRB (0.53) THRBTDP1HTTPOLBAPEX1
SCHEMBL8336532 0.79 CHRM5 (0.42) OPRM1OPRD1OPRK1CHRM5CHRM1
SCHEMBL20809649 0.78 OPRM1 (0.48) OPRM1OPRD1OPRK1CHRM5CHRM1

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