SCHEMBL14100481

SCHEMBL14100481

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL9925442 0.80 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL14516867 0.80 SMN1; SMN2 (0.40) ALDH1A1TP53CYP3A4
SCHEMBL10005671 0.80 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18132390 0.79 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4
SCHEMBL12891600 0.79 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4
SCHEMBL2850663 0.76 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18879808 0.75 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL25797198 0.75 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL15339791 0.74 MGLL (0.41) ALDH1A1
SCHEMBL14520520 0.74 ALDH1A1 (0.38) 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-7399795-B2 Surface modification of contact lenses BAUSCH & LOMB INCORPORATED (US) 2008-07-15 US disclosed
US-7270678-B2 For reducing or eliminating lens epithelial cell growth thereon, reducing or eliminating silicone oil absorption upon subsequent surgical exposure and/ or reducing implantation inserter friction BAUSCH & LOMB INCORPORATED (US) 2007-09-18 US disclosed