SCHEMBL14367126

SCHEMBL14367126

COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
ANPEP P15144 4/20 0.46
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5896932 0.83 ATM (0.36) MMP2ANPEP
SCHEMBL3476452 0.81 MMP2 (0.53) MMP2ANPEPTP53CA12CA1
SCHEMBL14077854 0.81 MMP2 (0.42) MMP2ANPEPALDH1A1CYP3A4MAPT
SCHEMBL13663762 0.81 MMP2 (0.42) MMP2ANPEPALDH1A1CYP3A4MAPT
SCHEMBL8098379 0.80 MMP2 (0.47) MMP2ANPEPTP53CA12CA1
SCHEMBL14367083 0.79 MMP2 (0.43) MMP2ANPEPTP53CA12CA1
SCHEMBL21702575 0.77 MMP2 (0.49) MMP2ANPEPTP53CA12CA1
SCHEMBL5019084 0.77 CYP2D6 (0.50) MMP2ANPEPCA1CA2ALDH1A1
SCHEMBL5691732 0.76 MMP2 (0.48) MMP2ANPEPALDH1A1CYP3A4
SCHEMBL14938109 0.76 MMP2 (0.51) MMP2ANPEPTP53CA12CA1

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-7300929-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-11-27 US disclosed