SCHEMBL3798152

SCHEMBL3798152

C=CCCCCCCCC1OC(=O)C(CCCCCCCC=C)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.35
ABHD16A O95870 1/20 0.35
ALDH1A1 P00352 4/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TRPA1 O75762 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
SCHEMBL1364078 1.00 TSHR (0.37) TSHRABCC4MAPTCYP3A4ABHD16A
SCHEMBL3981398 0.98 TSHR (0.33) TSHRABCC4MAPTCYP3A4ABHD16A
SCHEMBL3820331 0.98 TSHR (0.38) TSHRABCC4MAPTCYP3A4ABHD16A
SCHEMBL3977462 0.92 FAAH (0.38) TSHRABCC4MAPTCYP3A4ALDH1A1
SCHEMBL1364944 0.83 FAAH (0.34) FAAH
SCHEMBL5501614 0.81 FAAH (0.31) ABCC4MAPTABHD16AFAAH
SCHEMBL28559593 0.81
SCHEMBL9334026 0.79 TSHR (0.39) TSHRABHD16AFAAH
SCHEMBL5501498 0.79 FAAH (0.31) FAAH
SCHEMBL12395555 0.76 DAGLA (0.44) ABCC4MAPTABHD16A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
US-20120252967-A1 POLYURETHANES GRAINS RESEARCH AND DEVELOPMENT CORPORATION (AU) 2012-10-04 US disclosed
EP-2265654-A1 POLYURETHANES Commonwealth Scientific and Industrial Research Organisation (AU) 2010-12-29 EP disclosed
WO-2009127009-A1 CONDENSATION POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO disclosed
WO-2009127012-A1 POLYURETHANES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO disclosed
WO-2009127012-A1 POLYURETHANES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-22 WO disclosed