SCHEMBL7977643

SCHEMBL7977643

Cc1c(CSc2cc3ccccc3[nH]2)cccc1OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
ALOX5 P09917 1/20 0.42
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP2D6 P10635 1/20 0.36
TLR8 Q9NR97 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL7964060 0.79 SMN1; SMN2 (0.62) ARCYP2D6SMN1; SMN2MAPTMEN1
SCHEMBL7963845 0.70 PTGS2 (0.50) CYP2D6SMN1; SMN2KDM4EMAPTHTR1A
SCHEMBL7977647 0.70 PTGS2 (0.50) SMN1; SMN2KDM4EMAPTMEN1ALDH1A1
SCHEMBL7963575 0.67 PDCD1 (0.43) CYP2D6SMN1; SMN2KDM4EMAPTCACNA1G
SCHEMBL7963860 0.67 ALDH1A1 (0.42) TLR8KDM4EMAPTCACNA1GCACNA1H
SCHEMBL10532274 0.65 AR (0.55) ARALOX5KDM4EMAPTMEN1
SCHEMBL10503421 0.64 BRS3 (0.56) ARALOX5SMN1; SMN2KDM4EMAPT
SCHEMBL7994171 0.64 PDE5A (0.58) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19121724 0.63 HTR1B (0.53) CYP2D6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28668279 0.63 AR (0.60) ARALOX5PDE5AKDM4EMAPT

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed