SCHEMBL7950485

SCHEMBL7950485

[O]C(=O)CCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
KDM5A P29375 3/20 0.45
PHF8 Q9UPP1 3/20 0.45
KDM2A Q9Y2K7 3/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM4A O75164 1/20 0.45
EPHX1 P07099 1/20 0.43
P2RX7 Q99572 1/20 0.42
NAAA Q02083 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10586989 1.00 CYP1A2 (0.48) CYP1A2HPGDSIGMAR1KDM5APHF8
SCHEMBL10588198 1.00 CYP1A2 (0.48) CYP1A2HPGDSIGMAR1KDM5APHF8
SCHEMBL10587334 0.98 CYP1A2 (0.44) CYP1A2HPGDSIGMAR1KDM5APHF8
SCHEMBL10587895 0.93 KDM5A (0.40) CYP1A2HPGDSIGMAR1KDM5APHF8
SCHEMBL7863957 0.89 KDM5A (0.53) CYP1A2HPGDSIGMAR1KDM5APHF8
SCHEMBL10587786 0.88
SCHEMBL7028763 0.86 HPGD (0.55) CYP1A2HPGDEPHX1NPC1RAB9A
SCHEMBL10586022 0.86 HPGD (0.55) CYP1A2HPGDEPHX1NPC1RAB9A
SCHEMBL10586034 0.86 HPGD (0.55) CYP1A2HPGDEPHX1NPC1RAB9A
SCHEMBL11438858 0.84 CYP1A2 (0.50) CYP1A2HPGDSIGMAR1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300333-B1 COMPOUNDS AS FUNGICIDES, MITICIDES OR INSECTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-09 US disclosed
US-6281221-B1 Substituted 1,3-dioxan-5-ylamino-hererocyclic compounds, processes for their preparation and their use as pest control compositions HOECHST SCERING AGREVO GMBH (DE) 2001-08-28 US disclosed
US-6107299-A INSECTICIDES; MITICIDES HOECHST SCHERING AGREVO GMBH (DE) 2000-08-22 US disclosed
WO-1999059978-A1 SUBSTITUTED NITROGEN HETEROCYCLES AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed
WO-1999059979-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-11-25 WO disclosed
US-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed
US-5859009-A Substituted spiroalkylamino and alkoxy heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-01-12 US disclosed
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed
US-5691321-A INSECTICIDES, MITICIDES, PARASITICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-11-25 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0319316-A2 Griseolic acid monoesters, their preparation and use SANKYO COMPANY LIMITED (JP) 1989-06-07 EP disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed