SCHEMBL8330100

SCHEMBL8330100

CCOC(=S)C(CCC1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MMP2 P08253 1/20 0.35
BMP1 P13497 1/20 0.35
ALOX5 P09917 2/20 0.35
PPARG P37231 2/20 0.35
PTGES O14684 1/20 0.35
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8330089 0.89 METAP2 (0.40) METAP2METAP1ALDH1A1HTTMMP2
SCHEMBL8329853 0.84 CTSK (0.37) METAP2ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL8330172 0.82 METAP2 (0.53) METAP2METAP1ALDH1A1MMP2BMP1
SCHEMBL8331302 0.80 METAP2 (0.51) METAP2METAP1ALDH1A1MMP2BMP1
SCHEMBL28014935 0.78 METAP1 (0.50) METAP1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL11020999 0.77 METAP2 (0.46) METAP2MMP2BMP1ALOX5PPARG
SCHEMBL11022081 0.77 METAP2 (0.46) METAP2MMP2BMP1ALOX5PPARG
SCHEMBL11022554 0.77 METAP2 (0.46) METAP2MMP2BMP1ALOX5PPARG
SCHEMBL8330092 0.77 METAP2 (0.49) METAP2METAP1ALDH1A1MMP2BMP1
SCHEMBL11023534 0.77 METAP2 (0.46) METAP2MMP2BMP1ALOX5PPARG

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed