SCHEMBL2544795

SCHEMBL2544795

C=C(C)C1NC(C)(CCCCCCCCCCCC)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.33
ACP1 P24666 3/20 0.33
CDC25B P30305 3/20 0.33
POLB P06746 1/20 0.33
FASN P49327 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19432225 0.61 HSD17B10 (0.35)
SCHEMBL11484364 0.60 MMP2 (0.46) MEN1KMT2AGAAALOX12ALDH1A1
SCHEMBL11146108 0.60 MMP2 (0.46) MEN1KMT2AGAAALOX12ALDH1A1
SCHEMBL8893756 0.60 MMP2 (0.46) MEN1KMT2AGAAALOX12ALDH1A1
SCHEMBL1404434 0.60 MMP2 (0.46) MEN1KMT2AGAAALOX12ALDH1A1
SCHEMBL25205553 0.58 SIRT2 (0.38) PTPN1ACP1CDC25B
SCHEMBL27990757 0.58 PTPN1 (0.34) PTPN1ACP1CDC25BMEN1KMT2A
SCHEMBL8920856 0.58 SIRT2 (0.38) PTPN1ACP1CDC25B
SCHEMBL28067498 0.57 SIRT2 (0.39) PTPN1ACP1CDC25BMEN1KMT2A
SCHEMBL7553174 0.57 SMN1; SMN2 (0.45) ALDH1A1

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
EP-2370113-A1 PACKAGING SOLUTIONS Bausch & Lomb Incorporated (US) 2011-10-05 EP disclosed
WO-2010078150-A1 PACKAGING SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2010-07-08 WO disclosed