SCHEMBL7420729

SCHEMBL7420729

COc1c(C=O)cccc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRC P12931 1/20 0.46
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
NFE2L2 Q16236 3/20 0.42
HPGD P15428 1/20 0.41
PDE4B Q07343 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL636344 0.88 SRC (0.52) CA1CA2NPC1RAB9ASRC
SCHEMBL638265 0.87 SRC (0.51) CA1CA2NPC1RAB9ASRC
SCHEMBL2818914 0.81 SRC (0.55) CA1CA2NPC1RAB9ASRC
SCHEMBL7422566 0.81 NFE2L2 (0.56) NPC1RAB9ATRPM8MAPTNFE2L2
SCHEMBL5302703 0.80 ALDH1A1 (0.50) SRCPOLBALDH1A1HPGDPDE4B
SCHEMBL11779563 0.79 SRC (0.49) SRCPOLBALDH1A1HPGDLMNA
SCHEMBL29343997 0.79 ALDH1A1 (0.52) SRCTLR2ERN1TLR1TLR6
SCHEMBL31092856 0.79 ALDH1A1 (0.52) SRCTLR2ERN1TLR1TLR6
SCHEMBL2368349 0.78 DRD1 (0.40) SRCPOLBHPGDPDE4BPDE4A
O-Veratraldehyde SCHEMBL29923149 0.78 SRC (0.67) CA1CA2NPC1RAB9ASRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766676-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-07-08 EP disclosed
EP-0766676-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-04-09 EP disclosed
WO-1996000218-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-01-04 WO disclosed