SCHEMBL18056922

SCHEMBL18056922

CCCC/C=C/CCCCCCCCCc1cccc(OCC(O)COCCOCC(O)COc2cccc(CCCCCCCCC/C=C/CCCC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.60
▸ PPARG P37231 4/20 0.52
▸ PTGIR P43119 1/20 0.50
▸ CYP2D6 P10635 3/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL16767914 0.93 PPARA (0.65) PPARAPPARGPTGIRCYP2D6FAAH
SCHEMBL18056766 0.89 PPARA (0.55) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL18056769 0.89 PPARA (0.55) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL18056770 0.88 PPARA (0.59) PPARAPPARGPTGIRCYP2D6FAAH
SCHEMBL20215772 0.88 PPARA (0.54) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL19230121 0.87 PPARA (0.53) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL19242172 0.86 PPARA (0.55) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL18056767 0.85 PPARA (0.56) PPARAPPARGPTGIRCYP2D6
SCHEMBL18056768 0.83 PPARA (0.57) PPARAPPARGPTGIRCYP2D6
SCHEMBL18558873 0.82 PPARA (0.53) PPARAPPARGPTGIRCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233604-A1 SPRAYABLE POLYURETHANE COATING DOW GLOBAL TECHNOLOGIES LLC 2017-08-17 — — US disclosed
US-9580601-B2 Polyurethane based asphalt composition DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 — — US disclosed
US-20160264714-A1 CARDANOL MODIFIED EPOXY POLYOL DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-15 — — US disclosed
US-20160257813-A1 Polyurethane Based Asphalt Composition DOW CHEMICAL (CHINA) INVESTMENT COMPANY LIMITED (CN) 2016-09-08 — — US disclosed
US-20160257848-A1 Cardanol Modified Epoxy Polyol DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-08 — — US disclosed
Send feedback