SCHEMBL9013989

SCHEMBL9013989

CCCCCC(Nc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.54
PDE4B Q07343 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
KDM1A O60341 1/20 0.46
GPR119 Q8TDV5 7/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TOP2A P11388 1/20 0.40
TGFBR1 P36897 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
SCHEMBL9014131 0.81 HSP90AB1 (0.45) TOP2A
SCHEMBL9013993 0.75 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL9014000 0.74 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL31726619 0.73 GPR119 (0.62) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL3609720 0.72 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL74564 0.72 KDM1A (0.57) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL21765007 0.72 KDM1A (0.57) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL19839235 0.72 PDE4B (0.64) PDE4DPDE4BPDE4APDE4CKDM1A
SCHEMBL9013996 0.72 KEAP1 (0.49) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL71246 0.72 EPHX2 (0.56) KDM1AGPR119KDM4E

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-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed