SCHEMBL11652007

SCHEMBL11652007

CC(=CC1CCCCC1)C(=O)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 3/20 0.32

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
SCHEMBL27764206 0.79 TP53 (0.46) ALDH1A1TP53CYP3A4LMNAPOLB
SCHEMBL16445418 0.79 GLO1 (0.40) ALDH1A1LMNA
SCHEMBL22716112 0.79 GRIK1 (0.35)
SCHEMBL2987392 0.79 GLO1 (0.40) ALDH1A1LMNA
SCHEMBL29117593 0.79 GLO1 (0.40) ALDH1A1LMNA
SCHEMBL22993864 0.79 GLO1 (0.40) ALDH1A1LMNA
SCHEMBL147020 0.79 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL4416081 0.79 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27670700 0.77 ALDH1A1 (0.62) ALDH1A1TP53CYP3A4MGLL
SCHEMBL632279 0.77 GLO1 (0.41) ALDH1A1LMNA

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-4087619-A Amine containing antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-02 US disclosed
US-3979436-A ACRYLIC ESTERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-09-07 US disclosed