SCHEMBL6677321

SCHEMBL6677321

COc1c(-c2ccccc2)cc(C)cc1C(C)(C)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
SQOR Q9Y6N5 1/20 0.37
NUDT1 P36639 1/20 0.37
METAP2 P50579 1/20 0.36
BACE1 P56817 4/20 0.35
IKBKB O14920 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 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
SCHEMBL757781 0.82 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL6673432 0.79 GAA (0.38) METAP2PTGDR2ALDH1A1HTT
SCHEMBL5087002 0.78 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL6675671 0.78 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL29801662 0.78 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL17036088 0.74 METAP2 (0.40) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL6673542 0.73 ALDH1A1 (0.45) ALDH1A1ACHECYP3A4
SCHEMBL6674743 0.73 ACHE (0.41) ALDH1A1ACHEHTTKDM4EL3MBTL1
SCHEMBL10708888 0.73 METAP2 (0.44) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL31134144 0.71 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DSQOR

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