SCHEMBL27701161

SCHEMBL27701161

COC(=O)[C@H]1CSCCN1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.37
MMP3 P08254 3/20 0.37
MMP7 P09237 3/20 0.37
MMP13 P45452 3/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33
FKBP1A P62942 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
SCHEMBL10181326 1.00 MMP1 (0.37) MMP1MMP3MMP7MMP13NPSR1
SCHEMBL8532100 0.81 MAPT (0.37) GAACYP2C19FKBP1A
SCHEMBL19369809 0.79 FDPS (0.32) MMP1MMP3MMP7MMP13
SCHEMBL25711383 0.79 ACE (0.37) MMP1MMP3MMP7MMP13HSD17B10
SCHEMBL7219514 0.76 MMP1 (0.45) MMP1MMP3MMP7MMP13NPSR1
SCHEMBL2772253 0.74
SCHEMBL15482785 0.73 NPSR1 (0.36) MMP1MMP3MMP7MMP13NPSR1
SCHEMBL337199 0.73 NR1H2 (0.42) NPSR1HSD17B10FKBP1A
SCHEMBL18745636 0.73 NR1H2 (0.42) NPSR1HSD17B10FKBP1A
SCHEMBL22019554 0.72 FKBP1A (0.48) FKBP1A

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
CN-101035776-A Enantiomerically pure heterocyclic compounds for the preparation of peptides potentially useful as medicaments SOLVAY (BE) 2007-09-12 CN disclosed