SCHEMBL7445568

SCHEMBL7445568

CCCC(O)c1cc(-c2ccc(Cl)c(Cl)c2)c2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
MDM2 Q00987 3/20 0.38
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA1 P30542 1/20 0.34
CYP51A1 Q16850 1/20 0.34
GLO1 Q04760 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
SCHEMBL7435290 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL7441469 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7444021 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7434171 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7448506 0.77 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DDHFR
SCHEMBL7437244 0.75 CCR1 (0.50) PDE4APDE4BPDE4CPDE4DMDM2
SCHEMBL7440477 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7445385 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL9241132 0.73 AHR (0.48) PDE2APDE10ASLC6A2SLC6A4SLC6A3
SCHEMBL7444288 0.72 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed