SCHEMBL8498640

SCHEMBL8498640

C=CCC1CCCC(=O)C1(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.34
HSD17B1 P14061 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 6/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL28663710 0.74 GAA (0.36) GAAHPGDMAPK1MAPTHSD17B1
SCHEMBL7298146 0.71
SCHEMBL30159080 0.66 POLB (0.32) MAPTPOLB
SCHEMBL30159039 0.66 POLB (0.32) MAPTPOLB
SCHEMBL8643529 0.66 GAA (0.45) GAAHPGDMAPK1MAPT
SCHEMBL7590131 0.65 GAA (0.44) GAAHPGDMAPK1MAPTALDH1A1
SCHEMBL3799713 0.65 GAA (0.44) GAAHPGDMAPK1MAPT
SCHEMBL20277765 0.64 HSD17B1 (0.46) HSD17B1MEN1ALDH1A1KMT2ACYP19A1
SCHEMBL20277764 0.64 HSD17B1 (0.46) HSD17B1MEN1ALDH1A1KMT2ACYP19A1
SCHEMBL11774345 0.62 ALDH1A1 (0.39) MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856349-A 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-01-05 US disclosed
US-5563163-A TREATMENT OF DEGENERATIVE DISEASES STERLING WINTHROP, INC. (US) 1996-10-08 US disclosed
US-5512589-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP INC. (US) 1996-04-30 US disclosed