SCHEMBL3812604

SCHEMBL3812604

O=C(O)CCCCCCCCCC(I)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.55
ALDH1A1 P00352 4/20 0.50
GSTK1 Q9Y2Q3 2/20 0.50
MEN1 O00255 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50
PLG P00747 1/20 0.50
THRB P10828 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 3/20 0.48
GPR84 Q9NQS5 4/20 0.46
CYP2D6 P10635 1/20 0.46
ENPEP Q07075 1/20 0.45
PPARG P37231 4/20 0.44

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
SCHEMBL3819704 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3811413 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3818997 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3818915 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3813710 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3815356 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3809684 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3813888 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3815991 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3818318 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1

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