SCHEMBL2990241

SCHEMBL2990241

CC(C)(CO)[C@@H](O)C(=O)OCCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
KCNH2 Q12809 1/20 0.38
VNN1 O95497 6/20 0.35
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6671680 0.79 PTGS1 (0.41) PTGS1KCNH2VNN1LMNA
SCHEMBL6671682 0.79 PTGS1 (0.41) PTGS1KCNH2VNN1LMNA
SCHEMBL6670659 0.75 PTGS1 (0.43) PTGS1KCNH2VNN1KDM4ELMNA
SCHEMBL5679836 0.75 PTGS1 (0.43) PTGS1KCNH2VNN1KDM4ELMNA
SCHEMBL6669359 0.72 PTGS1 (0.48) PTGS1KCNH2VNN1SMN1; SMN2
SCHEMBL6669356 0.72 PTGS1 (0.48) PTGS1KCNH2VNN1SMN1; SMN2
SCHEMBL28937252 0.72 HTT (0.39)
SCHEMBL10076382 0.72 PTGS1 (0.47) PTGS1KCNH2VNN1
SCHEMBL5329840 0.72 PTGS1 (0.47) PTGS1KCNH2VNN1
SCHEMBL31038948 0.72 PTGS1 (0.41) 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
US-20100173027-A1 O/W EMULSION FOR HAND CARE BEIERSDORF AG (DE) 2010-07-08 US disclosed