SCHEMBL2469853

SCHEMBL2469853

COC(=O)C(C)(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.33
DGAT1 O75907 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPRB P23467 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33
KCNN4 O15554 1/20 0.31

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
SCHEMBL6429532 0.79 CYP2C19 (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL17179910 0.77 CYP2C19 (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28539833 0.74 TSHR (0.33) TSHRTDP1PTPRBPTPN1
SCHEMBL8656249 0.73 TSHR (0.59) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27849585 0.73 TSHR (0.32) TSHRTDP1PTPRBPTPN1
SCHEMBL25325252 0.72 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL161121 0.72 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9556345 0.71 PTPRB (0.55) CYP2C19PTPRBPTPN2PTPN1PTPRA
SCHEMBL4341377 0.71 PTPN2 (0.30) PTPRBPTPN2PTPN1PTPRA
SCHEMBL4628164 0.70 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664152-B1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC INC (US) 2011-10-05 EP disclosed
EP-1664152-A2 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS Cryovac, Inc. (US) 2006-06-07 EP disclosed
US-6872451-B2 Ionomeric oxygen scavenger compositions CRYOVAC, INC. (US) 2005-03-29 US disclosed
WO-2005023674-A2 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC, INC. (US) 2005-03-17 WO disclosed
US-20050048286-A1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC, INC. 2005-03-03 US disclosed