SCHEMBL10338571

SCHEMBL10338571

O=C1C=C(O)C(C(=O)O)C(CCSc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
DAO P14920 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARD Q03181 3/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
BACE1 P56817 1/20 0.30
NOTUM Q6P988 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30

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
SCHEMBL15945528 0.87 ALDH1A1 (0.45) MAPK1PPARDALDH1A1
SCHEMBL15944463 0.75 ALDH1A1 (0.42) MAPK1ALDH1A1
SCHEMBL14234576 0.75 DAO (0.35) DDB1CRBNDAOHRH3HTR1A
SCHEMBL15945506 0.75 ALDH1A1 (0.44) MAPK1PPARDBACE1ALDH1A1PPARA
SCHEMBL15944391 0.74 ALDH1A1 (0.48) CRBNMAPK1ALDH1A1
SCHEMBL15944380 0.74 ALDH1A1 (0.50) MAPK1ALDH1A1
SCHEMBL15944368 0.73 ALDH1A1 (0.49) MAPK1ALDH1A1
SCHEMBL15945771 0.72 ALDH1A1 (0.41) DDB1CRBNMAPK1BACE1ALDH1A1
SCHEMBL15945500 0.72 ALDH1A1 (0.48) MAPK1ALDH1A1
SCHEMBL15944386 0.72 ALDH1A1 (0.48) MAPK1ALDH1A1

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-2083349-A None JP disclosed
JP-H0283349-A PRODUCTION OF 2-ACYLCYCLOHEXANE DERIVATIVE SUMITOMO CHEM CO LTD 1990-03-23 JP disclosed