SCHEMBL7916424

SCHEMBL7916424

COc1ccc(C2(C)CNC(=O)CO2)cc1OC1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.49
PDE4D Q08499 18/20 0.49
PDE4A P27815 17/20 0.49
PDE4C Q08493 17/20 0.49
CYP3A4 P08684 2/20 0.40
VEGFA P15692 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.40
TNF P01375 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 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
SCHEMBL7906256 0.86 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7913417 0.86 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7916375 0.84 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7919798 0.80 PDE4A (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6586396 0.79 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL7913428 0.74 PDE4A (0.52) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL6584367 0.74 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL8312871 0.74 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL7916048 0.72 PDE4A (0.51) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7906155 0.71 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CCYP3A4

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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed