SCHEMBL8009827

SCHEMBL8009827

CC1N[C]=Cc2cc(O)ccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DYRK1A Q13627 1/20 0.31
ACHE P22303 1/20 0.31
CA12 O43570 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL7651931 0.66 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL8590825 0.59 DYRK1A (0.43) CHRNB2CHRNA4DYRK1AACHECA12
SCHEMBL31410678 0.58 ANPEP (0.33) DYRK1A
SCHEMBL21959060 0.58 MAOA (0.64) ALDH1A1CA2CA9HSD17B10CA14
SCHEMBL31505403 0.58 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1LMNACYP3A4
SCHEMBL8140136 0.58 DRD2 (0.42) CHRNB2CHRNA4
SCHEMBL8034552 0.58 ESR1 (0.53) LMNACYP3A4HSD17B10
SCHEMBL13049833 0.58 ESR1 (0.53) LMNACYP3A4HSD17B10
SCHEMBL13894961 0.58 CHRNB2 (0.35) CHRNB2CHRNA4DYRK1AACHECA12
SCHEMBL28910133 0.57 CYP19A1 (0.48) CHRNB2CHRNA4DYRK1ACA12ALDH1A1

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-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO claimed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO disclosed