SCHEMBL7367986

SCHEMBL7367986

CC(C)CCn1c(=O)n(C)c(=O)c2[nH]cnc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.77
PDE4B Q07343 10/20 0.77
PDE4C Q08493 10/20 0.77
PDE4D Q08499 10/20 0.77
PDE2A O00408 2/20 0.77
PDE1A P54750 2/20 0.77
PDE1B Q01064 2/20 0.77
PDE1C Q14123 2/20 0.77
CFTR P13569 2/20 0.77
ADORA1 P30542 2/20 0.77
CYP1A2 P05177 2/20 0.77
PDE5A O76074 1/20 0.77
CYP3A4 P08684 1/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
SCN1A P35498 1/20 0.77
PDE6C P51160 1/20 0.77
PDE3B Q13370 1/20 0.77
PDE7A Q13946 1/20 0.77
PDE3A Q14432 1/20 0.77

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
SCHEMBL28468033 0.89 CFTR (0.77) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL50315 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL28814716 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL10579248 0.86 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL7637581 0.84 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL9765669 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL4262798 0.83 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL1331789 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
Water SCHEMBL27461178 0.81 ADORA2A (0.97) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL3177911 0.80 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
US-20130273658-A1 HUMAN ADIPOCYTE-DERIVED BASEMENT MEMBRANE FOR TISSUE ENGINEERING APPLICATIONS WILLIAM MARSH RICE UNIVERSITY (US) 2013-10-17 US disclosed
US-5869450-A AMINO ACID SEQUENCES OF PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-09 US disclosed
WO-1997032898-A9 ANTI-INFLAMMATORY CRF ANALOGS, THEIR COMPOSITIONS AND USE 1997-10-30 WO disclosed
WO-1997032898-A1 ANTI-INFLAMMATORY CRF ANALOGS, THEIR COMPOSITIONS AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-12 WO disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed