SCHEMBL8091132

SCHEMBL8091132

CCOC(=O)NCC1CC=CC2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.51
TOP2A P11388 1/20 0.51
CYP2C9 P11712 1/20 0.51
TOP2B Q02880 1/20 0.51
PIK3CG P48736 5/20 0.44
PIK3CD O00329 3/20 0.44
PIK3R1 P27986 3/20 0.44
PIK3CA P42336 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL9048399 0.91 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8092868 0.88 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8091136 0.87 KCNH2 (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8083142 0.86 DPP4 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8094753 0.85 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8090947 0.81 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8097813 0.80 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9045946 0.80 DPP4 (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9045493 0.80 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9047130 0.79 ADRB2 (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10

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
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed