SCHEMBL20144587

SCHEMBL20144587

CC(C)(C)CC(C)(C(=O)NCCOC(=O)C1CCCCC1C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL18757213 0.85 EPHX2 (0.31)
SCHEMBL20144650 0.82 TAAR1 (0.46) TAAR1HSD17B10ALDH1A1CASP1SMN1; SMN2
SCHEMBL18757205 0.82 TP53 (0.35) TP53CYP3A4
SCHEMBL1104054 0.81 CCR2 (0.35) TAAR1TP53CYP3A4
SCHEMBL18757215 0.80 TP53 (0.33) TP53CYP3A4
SCHEMBL20144561 0.77 CTSB (0.35) TAAR1HSD17B10ALDH1A1
SCHEMBL20144574 0.75 ALDH1A1 (0.44) TAAR1ALDH1A1SMN1; SMN2
SCHEMBL18757217 0.74 TAAR1 (0.33) TAAR1SMN1; SMN2
SCHEMBL20144523 0.74
SCHEMBL16573504 0.73 TP53 (0.36) TP53CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102708-B1 CURABLE COMPOSITION, COLOR FILTER, AND MANUFACTURING METHOD OF THE SAME FUJIFILM CORP (JP) 2018-05-16 EP disclosed