SCHEMBL8713356

SCHEMBL8713356

CC(C)(C)OC(=O)C(C)(O)Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 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
SCHEMBL3895308 0.80 DGAT1 (0.50) DGAT1MAPTALDH1A1USP2SMN1; SMN2
SCHEMBL1456408 0.80 DGAT1 (0.50) DGAT1MAPTALDH1A1TSHRUSP2
SCHEMBL8207418 0.77 DGAT1 (0.52) DGAT1ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL20565054 0.77 DGAT1 (0.52) DGAT1ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL362903 0.77 DGAT1 (0.52) DGAT1ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL2308323 0.76 DGAT1 (0.46) DGAT1MAPT
SCHEMBL5249575 0.74 DGAT1 (0.44) DGAT1MAPT
SCHEMBL3141601 0.73 DGAT1 (0.79) DGAT1ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL307610 0.73 DGAT1 (0.55) DGAT1ALDH1A1USP2SMN1; SMN2
SCHEMBL10892362 0.72 DGAT1 (0.48) DGAT1ALDH1A1TSHRUSP2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed