SCHEMBL6164330

SCHEMBL6164330

Cc1cc(CCCCC(=O)O)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LTB4R Q15722 2/20 0.37
MAPK1 P28482 1/20 0.37
TBXAS1 P24557 1/20 0.37
F13A1 P00488 3/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6767585 0.96 RXRA (0.50) RXRARXRBRXRGPPARAKDM4E
SCHEMBL6762997 0.86 MIF (0.39) LTB4RMAPT
SCHEMBL6765287 0.85 NOS2 (0.38) RXRARXRBRXRGNOS2NOS3
SCHEMBL6164525 0.83 NOS2 (0.39) NOS2NOS3NOS1
SCHEMBL13040655 0.82 NOS2 (0.38) NOS2NOS3NOS1
SCHEMBL6167004 0.82 NOS2 (0.38) NOS2NOS3NOS1
SCHEMBL6762802 0.81 CTSB (0.45) RXRARXRBRXRGKDM4EMAPT
SCHEMBL8330686 0.81 NOS1 (0.57) RXRARXRBRXRGKDM4EMAPT
SCHEMBL8328239 0.80 NOS1 (0.37) RXRARXRBRXRGKDM4EMAPT
SCHEMBL13040653 0.79 NOS2 (0.55) NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095020-B1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2005-08-31 EP disclosed
US-6762176-B1 INHIBITING NO-SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE AND/OR TRAPPING REACTIVE FORMS OF OXYGEN; INHIBIT LIPIDIC PEROXIDATION SOCIETE DE CONSELLS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-13 US disclosed
US-6727239-B1 INHIBITORY ACTIVITY ON NO- SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE NO AND/OR AN ACTIVITY WHICH TRAPS THE REACTIVE OXYGEN SPECIES (ROS) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US disclosed
EP-1095020-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-02 EP disclosed
WO-2000002860-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-01-20 WO disclosed