SCHEMBL7376249

SCHEMBL7376249

C=CCc1cc(Cl)cc(NC(=O)Cc2ccc(OC)c(OC3CCCC3)c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4D Q08499 8/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL7735636 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APDE4DPDE4A
SCHEMBL7373976 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2APDE4DPDE4A
SCHEMBL7374168 0.82 MEN1 (0.60) SMN1; SMN2MEN1KMT2APDE4DPDE4A
SCHEMBL7725301 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ANPC1PDE4D
SCHEMBL7734322 0.76 GAA (0.52) SMN1; SMN2RAB9APDE4DPDE4APDE4B
SCHEMBL7735278 0.74 PDE4D (0.53) SMN1; SMN2KMT2APDE4DPDE4APDE4B
SCHEMBL7735233 0.73 PDE5A (0.60) SMN1; SMN2MEN1KMT2ARAB9APDE4D
SCHEMBL7332617 0.71 PDE4B (0.58) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7023339 0.71 PDE4B (0.55) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2371289 0.70 PDE4B (0.60) PDE4DPDE4APDE4BPDE4CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796093-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-05-13 EP claimed
EP-0796093-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-09-24 EP claimed
US-5591776-A Pheynl or benzyl-substituted rolipram-based compounds for and method of inhibiting phosphodiesterase IV EURO-CELTIQUE, S.A. (LU) 1997-01-07 US claimed
WO-1996021435-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-07-18 WO claimed
US-6153630-A Phenylpyridyl compounds for inhibiting phosphodiesterase IV and methods of using same EURO-CELTIQUE, S.A. (LU) 2000-11-28 US disclosed
US-5889014-A ASTHMA, ARTHRITIS, ALLERGIES, INFLAMMATION, DEPRESSION THERAPY EURO-CELTIQUE, S.A. (LU) 1999-03-30 US disclosed
EP-0796093-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-05-13 EP disclosed
EP-0796093-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-09-24 EP disclosed
US-5591776-A Pheynl or benzyl-substituted rolipram-based compounds for and method of inhibiting phosphodiesterase IV EURO-CELTIQUE, S.A. (LU) 1997-01-07 US disclosed
WO-1996021435-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-07-18 WO disclosed