SCHEMBL8893783

SCHEMBL8893783

CCC(C)[C@H](NC)C(=O)C(C)(O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
PSENEN Q9NZ42 1/20 0.36
DGAT1 O75907 1/20 0.34
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8895457 0.87 CTSS (0.34) CTSSCTSKPSENEN
SCHEMBL8897712 0.86 CTSS (0.34) CTSSCTSKPSENEN
SCHEMBL8894609 0.80 ALDH1A1 (0.40) CTSSCTSKCA2ALDH1A1TSHR
SCHEMBL22175141 0.78 CTSS (0.47) CTSSCTSKPSENENCA2ALDH1A1
SCHEMBL3058029 0.76 DGAT1 (0.41) DGAT1CA2CA1CA7
SCHEMBL17573328 0.76 ALDH1A1 (0.40) CTSSCTSKPSENENALDH1A1POLB
SCHEMBL8894246 0.74 CTSS (0.30) CTSSCTSK
SCHEMBL8708106 0.73 CTSL (0.40) CTSSCTSKDGAT1CA2ALDH1A1
SCHEMBL8893641 0.70 ALDH1A1 (0.32) CTSSCTSKALDH1A1
SCHEMBL8893788 0.70 CTSS (0.40) CTSSCTSKPSENENCA2ALDH1A1

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed