SCHEMBL6627744

SCHEMBL6627744

COC(C)(C)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
TSHR P16473 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CTH P32929 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TET2 Q6N021 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 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
SCHEMBL21129653 0.83 TET2 (0.46) TSHRCYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28665058 0.80 EGLN1 (0.43) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7109527 0.75 TSHR (0.40) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10719108 0.74 TSHR (0.42) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1717828 0.73 HMGCR (0.41) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL41886 0.73
Hydrochloric Acid SCHEMBL109329 0.72 TSHR (0.40) EGLN1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7570911 0.72 EGLN1 (0.36) EGLN1TSHR
SCHEMBL2616089 0.71 EGLN1 (0.40) EGLN1TSHRCYP2D6ALDH1A1SMN1; SMN2
SCHEMBL18015036 0.71 EGLN1 (0.40) EGLN1TSHRCYP2D6ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP disclosed
US-6194451-B1 PREVENT RELEASE TUMOR NECROSIS FACTOR; ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-27 US disclosed
EP-0960108-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-12-01 EP disclosed
WO-1998033788-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-06 WO disclosed