SCHEMBL8458200

SCHEMBL8458200

CC=CCCC(=O)CC=CC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
F13A1 P00488 1/20 0.32
THRB P10828 1/20 0.32
PTGS1 P23219 1/20 0.32
FASN P49327 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL8458198 1.00 PPARG (0.32) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL8458637 0.86 ALDH1A1 (0.50) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL8458635 0.86 ALDH1A1 (0.50) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL7998543 0.86 MAPT (0.36) PPARGPPARDPPARAALDH1A1MAPT
SCHEMBL8459388 0.83 MAPT (0.35) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8459389 0.83 MAPT (0.35) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9113394 0.83 ALDH1A1 (0.35) ALDH1A1SOAT1
SCHEMBL1509789 0.83 ALDH1A1 (0.35) ALDH1A1SOAT1
SCHEMBL28606494 0.83 ALDH1A1 (0.35) ALDH1A1SOAT1
SCHEMBL23823944 0.80 CHRNB2 (0.40) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP claimed
US-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US disclosed
US-5935598-A DEVICE FOR NON-INVASIVE ADMINISTRATION OF A CELL ADHESION RECEPTOR ANTAGONIST TO A MAMMAL; CURRENT DISTRIBUTING MEMBER, IONIZABLE ANTAGONIST RESERVOIR, ELECTROLYTE RESERVOIR, POWDER SOURCE; TREATING THROMBOSIS, ANTICOAGULANTS BECTON DICKINSON RESEARCH CENTER (US) 1999-08-10 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed