SCHEMBL7759488

SCHEMBL7759488

Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2[PH](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.31
NR1I2 O75469 1/20 0.30
KDM4B O94953 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
DOHH Q9BU89 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
EBP Q15125 1/20 0.30

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
SCHEMBL4552495 0.84 ALDH1A1 (0.36) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL16388937 0.70 ALDH1A1 (0.35) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL19442592 0.67 ALDH1A1 (0.33) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL10029426 0.67 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL7760842 0.65 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL17532970 0.65 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL13510558 0.65 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL23087149 0.65 HRH3 (0.33) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL20980046 0.64 EPHX2 (0.32) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL12852201 0.64 KDM4E (0.32) ALDH1A1

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
WO-2001072421-A1 POLYMER SUPPORTED CATALYSTS FOR OLEFIN METATHESIS GLAXO GROUP LIMITED (GB) 2001-10-04 WO disclosed