SCHEMBL7469675

SCHEMBL7469675

COc1cc(C(=O)O)ccc1OC(C)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
TPMT P51580 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TSHR P16473 3/20 0.49
TTR P02766 2/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 7/20 0.44
CYP2D6 P10635 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6222829 0.84 MAPT (0.56) TSHRHTTLMNAMAPK1RAB9A
SCHEMBL6168405 0.82 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL1015345 0.80 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL6638697 0.79 SLC6A2 (0.44) TSHRHTTMAPK1SLC6A2SLC6A4
SCHEMBL1554712 0.76 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL6619157 0.76 SLC6A2 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL20428527 0.74 CA12 (0.55) CA12CA1CA2CA4CA6
SCHEMBL3924278 0.74 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL8948042 0.74 MEN1 (0.58) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.73 CA12 (1.00) CA12CA1CA2CA4CA6

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-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed