SCHEMBL7916536

SCHEMBL7916536

CC(C)=C[C@@H]1C(C)(C)[C@@]1(Cc1coc(Cc2ccccc2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
TDP1 Q9NUW8 1/20 0.32
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL8321135 1.00 IDH1 (0.40) IDH1TDP1PPARAPPARGLMNA
SCHEMBL3513116 1.00 IDH1 (0.40) IDH1TDP1PPARAPPARGLMNA
SCHEMBL7536857 1.00 IDH1 (0.40) IDH1TDP1PPARAPPARGLMNA
SCHEMBL11436250 0.91 IDH1 (0.40) IDH1TDP1LMNA
SCHEMBL739613 0.90 IDH1 (0.39) IDH1
SCHEMBL4338524 0.88 IDH1 (0.36) IDH1
SCHEMBL4452488 0.83 IDH1 (0.34) IDH1
SCHEMBL11327810 0.83 CYP3A4 (0.39) TDP1LMNA
SCHEMBL11837047 0.82 MTNR1A (0.38) IDH1TDP1PPARAPPARGLMNA
SCHEMBL11837039 0.82 MTNR1A (0.38) IDH1TDP1PPARAPPARGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228384-B1 CAPTURING LIVE MITES AND TREATING ENVIRONMENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-05-08 US disclosed
EP-0900526-A1 COMPOSITION FOR CATCHING AND DETECTING MITES, AND METHOD FOR CATCHING AND DETECTING MITES WITH THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-03-10 EP disclosed
US-5880162-A INSECTICIDES FOR SOIL BORNE INSECT PESTS BRITISH TECHNOLOGY GROUP, LTD. (GB) 1999-03-09 US disclosed
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed
US-4504491-A INSECTICIDE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-03-12 US disclosed
US-4397859-A BENZODIOXOLE DERIVATIVE AND PYRETHRIN FISONS LIMITED (GB) 1983-08-09 US disclosed
EP-0001454-A1 Arthropodicidal compositions, formulations containing such compositions and the use of such compositions or formulations in controlling pests THE WELLCOME FOUNDATION LIMITED (GB) 1979-04-18 EP disclosed