SCHEMBL2079080

SCHEMBL2079080

CCOC(=O)CC[C@]1(C(C)(C)C)C[C@@H](OS(C)(=O)=O)CN1C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 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
SCHEMBL2076840 0.84 MAPT (0.32)
SCHEMBL2080035 0.82 PPM1D (0.33)
SCHEMBL146262 0.77
SCHEMBL376577 0.73
SCHEMBL3947201 0.73 SSTR4 (0.33)
SCHEMBL3952750 0.70 ALDH1A1 (0.36) MMP2
SCHEMBL27239988 0.70 TSHR (0.32)
SCHEMBL17924754 0.69 CNR2 (0.32)
SCHEMBL17924750 0.69 CNR2 (0.32)
SCHEMBL17924751 0.69 CNR2 (0.32)

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-7906532-B2 Antiserotonine agents; gastrointestinal disorders; irritable bowel syndrome; central nervous system disorders; Alzheimer's disease; cognition activators; analgesics; cardiovascular disorders; antidiabetic agents; sleep disorders PFIZER INC. (US) 2011-03-15 US disclosed