SCHEMBL13845648

SCHEMBL13845648

CCCNC(=O)[C@H](O)C(C)(C)CO

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
KCNH2 Q12809 1/20 0.71
VNN1 O95497 13/20 0.52
KDM4C Q9H3R0 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL15281682 1.00 PTGS1 (0.71) PTGS1KCNH2VNN1KDM4CUSP2
SCHEMBL18155279 0.90 PTGS1 (0.59) PTGS1KCNH2VNN1KDM4CMEN1
SCHEMBL12572828 0.90 PTGS1 (0.59) PTGS1KCNH2VNN1KDM4CMEN1
SCHEMBL7045821 0.90 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044200 0.90 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044196 0.90 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044206 0.90 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7045827 0.90 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL15646476 0.89 PTGS1 (0.77) PTGS1KCNH2VNN1
SCHEMBL18309844 0.89 PTGS1 (0.77) PTGS1KCNH2VNN1

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-2009060017-A1 HAIR TREATMENT AGENT COMPRISING TILIROSIDE AND VITAMIN B HENKEL AG & CO. KGAA (DE) 2009-05-14 WO disclosed