SCHEMBL6675671

SCHEMBL6675671

COc1c(-c2ccccc2)cccc1C(C)(C)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
NR1H4 Q96RI1 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
CYP2A6 P11509 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36

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
SCHEMBL13385087 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DNR1H4
Acetaldehyde SCHEMBL27862683 0.80 TNFRSF1A (0.39) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL6677321 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL6675079 0.77 ADRB2 (0.36) ALDH1A1HTTMAPTPDCD1CD274
SCHEMBL18533233 0.76 CYP1A1 (0.41) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL30317545 0.76 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL1642224 0.76 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL6677826 0.75 CA2 (0.43) NR1H4ALDH1A1MAPK1ALOX5APFEN1
SCHEMBL3681510 0.75 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL3687746 0.75 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DNR1H4

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-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed