SCHEMBL4282046

SCHEMBL4282046

CC(=O)Oc1cccc(CCCI)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
LMNA P02545 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
ACHE P22303 7/20 0.48
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
PARP1 P09874 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4279635 0.95 CYP3A4 (0.50) CYP3A4LMNAMTNR1AMTNR1BACHE
SCHEMBL1790266 0.86 PPARA (0.57) CYP3A4LMNAMTNR1AMTNR1BACHE
SCHEMBL4268403 0.86 CYP3A4 (0.53) CYP3A4LMNAMTNR1AMTNR1BACHE
SCHEMBL4282042 0.85 MTNR1A (0.48) MTNR1AMTNR1BACHEPPARGPPARA
SCHEMBL27865972 0.84 PPARA (0.63) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL4268393 0.84 CYP4F2 (0.56) CYP3A4LMNAMTNR1AMTNR1BACHE
SCHEMBL30631323 0.84 PPARA (0.63) CYP3A4LMNAMTNR1AMTNR1BPPARG
SCHEMBL12648662 0.83 CYP3A4 (0.58) CYP3A4LMNAACHEPARP1
SCHEMBL1517301 0.83 PPARA (0.66) PPARGPPARAHDAC1HDAC6
SCHEMBL5280181 0.83 CYP3A4 (0.50) CYP3A4LMNAMTNR1AMTNR1BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9627204-B2 Composition for forming a coating type BPSG film, substrate formed a film by said composition, and patterning process using said composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed