SCHEMBL8843845

SCHEMBL8843845

ClCCSN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33

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
SCHEMBL11818638 0.85 MGLL (0.55) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL11824386 0.78 MGLL (0.48) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL21686974 0.76 MGLL (0.46) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL11823675 0.74 MGLL (0.44) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL10768756 0.74 MGLL (0.39) MGLLALDH1A1
SCHEMBL21087586 0.74 MGLL (0.55) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL8329289 0.70
SCHEMBL1418058 0.70
SCHEMBL28561971 0.69 SMN1; SMN2 (0.41) MGLL
Hydrochloric Acid SCHEMBL27550956 0.66 KDM4E (0.44) MGLLALDH1A1

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed