SCHEMBL13985113

SCHEMBL13985113

O=C(NCC1CO1)N(CO)CC1CO1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.30
TP53 P04637 2/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL29083340 0.92 SMN1; SMN2 (0.33) USP2SMN1; SMN2MTNR1ATP53HPGD
Methane SCHEMBL28524803 0.91 USP2 (0.32) USP2SMN1; SMN2MTNR1ATP53HPGD
SCHEMBL467319 0.86 HTT (0.32) SMN1; SMN2MTNR1AHPGDALDH1A1
SCHEMBL28098070 0.82 ALOX5 (0.34) ALDH1A1
SCHEMBL13115813 0.81 SMN1; SMN2 (0.33) USP2SMN1; SMN2MTNR1ATP53HPGD
SCHEMBL8577930 0.81 SMN1; SMN2 (0.33) USP2SMN1; SMN2MTNR1ATP53HPGD
SCHEMBL21753676 0.78 ALDH1A1 (0.34) TP53ALDH1A1CYP3A4
SCHEMBL27274527 0.77 MTNR1A (0.31) MTNR1A
Oxazole SCHEMBL29183136 0.77 MTNR1A (0.30) MTNR1A
SCHEMBL15646381 0.76 BCHE (0.35) TP53ALDH1A1CYP3A4

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
WO-2009002125-A2 METHOD FOR MANUFACTURING TRANSPARENT PLASTIC FILM AND TRANSPARENT PLASTIC FILM MANUFACTURED BY THE METHOD LG CHEM, LTD. (KR) 2008-12-31 WO disclosed