SCHEMBL2076840

SCHEMBL2076840

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL2080035 0.80 PPM1D (0.33)
SCHEMBL17924750 0.74 CNR2 (0.32) LMNAPOLBTSHRCYP1A2ALDH1A1
SCHEMBL17924751 0.74 CNR2 (0.32) LMNAPOLBTSHRCYP1A2ALDH1A1
SCHEMBL17924754 0.74 CNR2 (0.32) LMNAPOLBTSHRCYP1A2ALDH1A1
SCHEMBL17686382 0.68 KDM4E (0.37) LMNAGAACYP1A2EPHX2ALDH1A1
SCHEMBL23777333 0.66
SCHEMBL15189250 0.64 MEN1 (0.51) MAPTLMNAEPHX2ALDH1A1
SCHEMBL16538439 0.64 SMN1; SMN2 (0.34) TSHR
SCHEMBL25243556 0.63
SCHEMBL25251818 0.63

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