SCHEMBL13938641

SCHEMBL13938641

CCC(C)(CC(C)(C)C(=O)OCC1CO1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MGLL Q99685 2/20 0.31
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
SCHEMBL18068892 0.96 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL17931695 0.94 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL25514827 0.91 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13938646 0.91 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18904526 0.90 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL15868636 0.89 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19602222 0.89 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13938648 0.88 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18904538 0.87 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL12972682 0.86 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1

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
US-20240030063-A1 THERMALLY DECOMPOSABLE FILL MATERIAL BREWER SCIENCE, INC. 2024-01-25 US disclosed
US-7473520-B2 Photosensitive resin composition, ink jet recording head using such composition and method for manufacturing such recording head CANON KABUSHIKI KAISHA (JP) 2009-01-06 US disclosed