SCHEMBL2306206

SCHEMBL2306206

C=C(OC)c1ccccc1OCCC(C)CCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALOX5 P09917 1/20 0.40
IDO1 P14902 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FDPS P14324 2/20 0.38
GGPS1 O95749 1/20 0.38
PPIA P62937 1/20 0.38
TLR8 Q9NR97 1/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.35
C5 P01031 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 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
SCHEMBL14245091 0.81 HTT (0.49) HTTALOX5IDO1LMNASMN1; SMN2
SCHEMBL16105088 0.81 HTT (0.59) HTTALOX5LMNASMN1; SMN2PPIA
SCHEMBL9787495 0.77 HTT (0.58) HTTALOX5LMNASMN1; SMN2PPIA
SCHEMBL7133337 0.75 ALOX5 (0.43) HTTALOX5IDO1LMNASMN1; SMN2
SCHEMBL27490530 0.75 HTR7 (0.49) HTTALOX5LMNASMN1; SMN2TLR8
SCHEMBL6890323 0.75 LMNA (0.61) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL991728 0.75 HTT (0.47) HTTALOX5IDO1LMNASMN1; SMN2
SCHEMBL27459272 0.72 HTR7 (0.51) IDO1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL27434096 0.72 HTT (0.44) HTTALOX5IDO1LMNASMN1; SMN2
SCHEMBL385728 0.72 HTT (0.70) HTTIDO1SMN1; SMN2MAPTHSP90AA1

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-2350179-A1 COMPOSITES COMPRISING BIOLOGICALLY-SYNTHESIZED NANOMATERIALS University Of Houston (US) 2011-08-03 EP claimed
WO-2010062717-A1 COMPOSITES COMPRISING BIOLOGICALLY-SYNTHESIZED NANOMATERIALS UNIVERSITY OF HOUSTON (US) 2010-06-03 WO claimed