SCHEMBL19504075

SCHEMBL19504075

Cc1cc(OCCOc2ccc(C(C)(C)C)c(C)c2)ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDIA6 Q15084 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL19777391 0.94 PDIA6 (0.46) PDIA6KDM4ETDP1ALDH1A1NPC1
SCHEMBL10176664 0.93 PDIA6 (0.41) PDIA6KDM4ETDP1ALDH1A1DRD2
SCHEMBL25946876 0.91 PTGS1 (0.43) PDIA6KDM4EALDH1A1NPC1MEN1
SCHEMBL15187968 0.91 PDIA6 (0.46) PDIA6ALDH1A1DRD2DRD4DRD3
SCHEMBL18490963 0.90 PDIA6 (0.40) PDIA6KDM4ETDP1ALDH1A1DRD2
SCHEMBL10176673 0.89 CYP3A4 (0.46) PDIA6KDM4ETDP1ALDH1A1DRD2
SCHEMBL10176679 0.88 PDIA6 (0.44) PDIA6KDM4EALDH1A1DRD2DRD4
SCHEMBL8225767 0.86 NQO1 (0.48) PDIA6KDM4ETDP1ALDH1A1NPC1
SCHEMBL10176652 0.86 KDM4E (0.53) KDM4ETDP1ALDH1A1MAPK1GAA
SCHEMBL19731893 0.86 KDM4E (0.40) PDIA6KDM4ETDP1ALDH1A1NPC1

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-20170309837-A1 POLYMER AND ORGANIC LIGHT-EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-10-26 — — US disclosed
Send feedback