SCHEMBL8016407

SCHEMBL8016407

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.33
PRKCA P17252 3/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL21811517 0.81 TSHR (0.40) TSHRLMNAHCAR2
SCHEMBL21811640 0.77 LMNA (0.39) TSHRLMNAHCAR2
SCHEMBL7067300 0.77 TSHR (0.37) TSHRLMNAHCAR2
SCHEMBL7959686 0.76 TSHR (0.36) TSHRLMNA
SCHEMBL4044174 0.75 TSHR (0.43) TSHRLMNAPRKCACYP4F2CYP4A11
SCHEMBL8167504 0.75
SCHEMBL4246767 0.74 TSHR (0.48) TSHRLMNAHCAR2
SCHEMBL21811751 0.74
SCHEMBL3765857 0.73 TSHR (0.42) TSHRLMNAPRKCACYP4F2CYP4A11
SCHEMBL7976432 0.73 TSHR (0.33) TSHRLMNA

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-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 US disclosed
US-6001997-A Cephalosporins and homologues, preparations and pharmaceutical compositions BATESON JOHN HARGREAVES (GB) 1999-12-14 US disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed