SCHEMBL3811347

SCHEMBL3811347

O=C(O)CCCCC(I)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
NFKB1 P19838 2/20 0.50
TSHR P16473 2/20 0.50
PMP22 Q01453 1/20 0.50
GSTK1 Q9Y2Q3 2/20 0.48
CYP2D6 P10635 1/20 0.48
ENPEP Q07075 1/20 0.47
BLM P54132 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
PLG P00747 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45

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
SCHEMBL3818997 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3811413 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3813710 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3819704 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3809684 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3815991 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3812604 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3815356 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3813888 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1
SCHEMBL3818318 0.98 TSHR (0.55) LMNANFKB1TSHRPMP22GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed