SCHEMBL3811218

SCHEMBL3811218

O=C(O)CCC(I)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.52
KDM4A O75164 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
TET3 O43151 1/20 0.52
FOLH1 Q04609 10/20 0.50
CYP1A2 P05177 2/20 0.50
GRM3 Q14832 2/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GSR P00390 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50

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
SCHEMBL18758794 1.00 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3811358 0.84 LMNA (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3811347 0.82 LMNA (0.52) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7247500 0.82 GABRR1 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3134446 0.82 GABRR1 (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3811413 0.80 TSHR (0.55) LMNATSHRHSD17B10
SCHEMBL3815356 0.80 TSHR (0.55) LMNATSHRHSD17B10
SCHEMBL3809684 0.80 TSHR (0.55) LMNATSHRHSD17B10
SCHEMBL3815991 0.80 TSHR (0.55) LMNATSHRHSD17B10
SCHEMBL3813888 0.80 TSHR (0.55) LMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016147196-A1 CONCENTRATED AND SELF-PRESERVING COMPOSITIONS OF MILD SURFACTANTS FOR TRANSPARENT AND SKIN-PH PERSONAL CARE FORMULATIONS GALAXY SURFACTANTS LTD. (IN) 2016-09-22 WO disclosed
US-9314413-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-9314414-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-20140121286-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-20140121394-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-8642652-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 US disclosed
CN-101951964-B Image forming method GE HEALTHCARE LTD 2013-05-29 CN disclosed
CN-101454026-B Novel imaging agents GE HEALTHCARE LTD 2012-12-12 CN disclosed
CN-101951964-A Image forming method GE HEALTHCARE LTD 2011-01-19 CN disclosed
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed
CN-101454026-A Novel imaging agents GE HEALTHCARE LTD (GB) 2009-06-10 CN disclosed