SCHEMBL7435290

SCHEMBL7435290

CC(C)c1cc(-c2ccc(Cl)c(Cl)c2)c2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.56
PDE4B Q07343 12/20 0.56
PDE4C Q08493 12/20 0.56
PDE4D Q08499 12/20 0.56
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GLO1 Q04760 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL7434938 0.88 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7431186 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7445568 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7437244 0.82 CCR1 (0.50) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL7448426 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL5257490 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL16743118 0.79 CCR1 (0.50) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL6181570 0.79 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL7445385 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCCR1
SCHEMBL6180068 0.78 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTP53

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