SCHEMBL8106901

SCHEMBL8106901

CC(C)C[C@@H](C(=O)O)[C@](O)(C(=O)OC(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
TSHR P16473 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL2246646 0.76 MEN1 (0.37) MEN1KMT2ATSHR
SCHEMBL2244400 0.76 MEN1 (0.37) MEN1KMT2ATSHR
SCHEMBL571479 0.74 MEN1 (0.36) MEN1KMT2ATSHR
SCHEMBL20775589 0.74 MEN1 (0.36) MEN1KMT2ATSHR
SCHEMBL8600987 0.68 RNPEP (0.36) RNPEPSLC7A5MEN1KMT2AALDH1A1
SCHEMBL8600991 0.68 RNPEP (0.36) RNPEPSLC7A5MEN1KMT2AALDH1A1
SCHEMBL5075351 0.68 MEN1 (0.34) MEN1KMT2ATSHRMMP1MMP2
SCHEMBL21902741 0.67 RNPEP (0.43) RNPEPSLC7A5MEN1KMT2AALDH1A1
SCHEMBL12136003 0.66 RNPEP (0.46) RNPEPSLC7A5MEN1KMT2AALDH1A1
SCHEMBL17011642 0.66 RNPEP (0.41) RNPEPSLC7A5MEN1KMT2AALDH1A1

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
EP-0754688-B1 Dioxolane intermediates BRITISH BIOTECH PHARM (GB) 2000-12-27 EP disclosed