SCHEMBL5822951

SCHEMBL5822951

COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.63
PDE4B Q07343 9/20 0.63
PDE4C Q08493 9/20 0.63
PDE4D Q08499 9/20 0.63
CYP19A1 P11511 4/20 0.50
PDE5A O76074 1/20 0.50
MEN1 O00255 1/20 0.49
PTGES O14684 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL1157335 0.89 CYP19A1 (0.61) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL5823368 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL5704500 0.88 CYP19A1 (0.62) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL8204617 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5823060 0.84 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL27969541 0.83 PTGS2 (0.64) CYP19A1MEN1ALDH1A1MAPTPTGS2
SCHEMBL16701533 0.83 TLR9 (0.47) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL7468309 0.82 CYP19A1 (0.54) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL15540405 0.81 CYP19A1 (0.57) PDE4BCYP19A1PDE5AMEN1PTGES
SCHEMBL7696540 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3806441-B2 2006-08-09 JP claimed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP claimed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP claimed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO claimed
US-6080790-A SELECTIVE AND POTENT INHIBITORS OF PHOSPHODIESTERASE IV AND ARE USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY DISEASES AND THE ALLEVIATION OF CONDITIONS ASSOCIATED WITH CENTRAL NERVOUS MALFUNCTION CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-27 US disclosed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP disclosed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 US disclosed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 US disclosed