SCHEMBL21814701

SCHEMBL21814701

CCCCCCCCCCCCSc1ccc(C(=O)c2ccc(OC)cc2)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.46
NPC1 O15118 1/20 0.44
THRB P10828 4/20 0.43
THRA P10827 2/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL2452199 0.84 THRA (0.54) PLK1NPC1THRBTHRAMAPT
SCHEMBL7177708 0.77 LSS (0.48) PLK1THRBTHRA
SCHEMBL7260314 0.75 PTGES (0.55) NPC1THRBTHRAMAPTRAB9A
SCHEMBL20495338 0.75 PTGES (0.55) NPC1THRBTHRAMAPTRAB9A
SCHEMBL5315774 0.75 PTGES (0.55) NPC1THRBTHRAMAPTRAB9A
SCHEMBL31500032 0.74 THRB (0.64) PLK1THRBTHRAMAPTHDAC3
SCHEMBL14838080 0.74 PTGES (0.52) NPC1THRBTHRAMAPTRAB9A
SCHEMBL21679422 0.72 NPC1 (0.68) NPC1MAPTHTTNPSR1HDAC3
SCHEMBL11987158 0.72 HPGD (0.57) NPC1THRBTHRAHTTRAB9A
SCHEMBL17919828 0.72 THRA (0.60) PLK1THRBTHRA

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
EP-3856807-A1 PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING BASF SE (DE) 2021-08-04 EP disclosed
WO-2020064522-A1 PHOTOCURABLE COMPOSITION FOR USE IN 3D PRINTING BASF SE (DE) 2020-04-02 WO disclosed