SCHEMBL6563298

SCHEMBL6563298

C=C(CC)C(=O)OCCCCCC.CCCCCCCCCCCCCCCCCCC=C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
EP300 Q09472 1/20 0.44
NAAA Q02083 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
FAAH O00519 2/20 0.40
EPHX2 P34913 2/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
CCR2 P41597 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL27860387 0.94 TSHR (0.42) TSHREP300NAAAHCAR2FAAH
SCHEMBL28738873 0.91 TSHR (0.51) TSHREP300HCAR2FAAHEPHX2
SCHEMBL28072297 0.91 TSHR (0.51) TSHREP300HCAR2FAAHEPHX2
SCHEMBL1512984 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL11302570 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL35937 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL15284904 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL8169264 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL30808307 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH
SCHEMBL8534212 0.89 TSHR (0.69) TSHREP300NAAAHCAR2FAAH

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-0995791-B1 Polymer compositions and a method of promoting soil release from fabrics using said polymer compositions ROHM & HAAS (US) 2004-02-18 EP disclosed
US-6451756-B2 ACRYLIC ACID COPOLYMER SHULMAN JAN EDWARD (US) 2002-09-17 US disclosed
US-20010036912-A1 Method of promoting soil release from fabrics SHULMAN JAN EDWARD (US) 2001-11-01 US disclosed
EP-0995791-A1 Polymer compositions and a method of promoting soil release from fabrics using said polymer compositions ROHM AND HAAS COMPANY (US) 2000-04-26 EP disclosed