SCHEMBL8911513

SCHEMBL8911513

CCC=CC=CCCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
CYP19A1 P11511 4/20 0.43
OXER1 Q8TDS5 4/20 0.43
PPARG P37231 3/20 0.43
MAPT P10636 3/20 0.43
RXRA P19793 2/20 0.43
FFAR1 O14842 2/20 0.43
PPARA Q07869 3/20 0.42
TRPA1 O75762 1/20 0.40
FASN P49327 1/20 0.39
F7 P08709 3/20 0.36
F3 P13726 3/20 0.36
PTGS1 P23219 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARD Q03181 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
FAAH O00519 3/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL8911511 1.00 ALDH1A1 (0.43) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL1905069 0.85
SCHEMBL9651209 0.85
SCHEMBL1905071 0.85
SCHEMBL1298900 0.83 ALDH1A1 (0.56) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL1298898 0.83 ALDH1A1 (0.56) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL16090848 0.83 FASN (0.56) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL17243851 0.83 FASN (0.56) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL15908497 0.81 FASN (0.55) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL15908495 0.81 FASN (0.55) ALDH1A1CYP19A1OXER1PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9110780-A None JP disclosed
JP-H09110780-A TAN-2342-RELATED COMPOUND, ITS PRODUCTION AND USE THEREOF TAKEDA CHEM IND LTD 1997-04-28 JP disclosed