SCHEMBL569723

SCHEMBL569723

CCCc1ccc([I+]c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
CNR2 P34972 2/20 0.41
CA2 P00918 1/20 0.39
IDO1 P14902 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MGLL Q99685 1/20 0.37
PLK1 P53350 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
CNR1 P21554 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL5493944 0.86 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL326914 0.86 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL2731970 0.86 ESR1 (0.50) LPLLIPGCA2MGLLIGF1R
SCHEMBL3368519 0.84 ESR1 (0.53) LPLLIPGMGLLIGF1RALOX15
SCHEMBL3368436 0.84 ESR1 (0.53) LPLLIPGMGLLIGF1RALOX15
SCHEMBL6546987 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL28572624 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrochloric Acid SCHEMBL7988640 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL27348511 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrogen Sulfide SCHEMBL28268146 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016077614-A1 POLY(ALKYLENE CARBONATE)-BASED AMPHIPHILIC BLOCK COPOLYMERS AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION (US) 2016-05-19 WO disclosed
EP-2601238-A1 SACRIFICIAL POLYMER COMPOSITIONS INCLUDING POLYCARBONATES HAVING REPEAT UNITS DERIVED FROM STEREOSPECIFIC POLYCYCLIC 2,3-DIOL MONOMERS Promerus, LLC (US) 2013-06-12 EP disclosed
EP-2512779-A1 SUBSTRATE-BASED ADDITIVE FABRICATION PROCESS DSM IP Assets B.V. (NL) 2012-10-24 EP disclosed
EP-2513722-A1 LED CURABLE LIQUID RESIN COMPOSITIONS FOR ADDITIVE FABRICATION DSM IP Assets B.V. (NL) 2012-10-24 EP disclosed
WO-2012019091-A1 SACRIFICIAL POLYMER COMPOSITIONS INCLUDING POLYCARBONATES HAVING REPEAT UNITS DERIVED FROM STEREOSPECIFIC POLYCYCLIC 2,3-DIOL MONOMERS PROMERUS LLC (US) 2012-02-09 WO disclosed
WO-2011091228-A1 LIQUID RADIATION CURABLE RESINS CAPABLE OF CURING INTO LAYERS WITH SELECTIVE VISUAL EFFECTS AND METHODS FOR THE USE THEREOF DSM IP ASSETS B.V. (NL) 2011-07-28 WO disclosed
WO-2011084578-A1 SUBSTRATE-BASED ADDITIVE FABRICATION PROCESS DSM IP ASSETS, B.V. (NL) 2011-07-14 WO disclosed
WO-2011075555-A1 LED CURABLE LIQUID RESIN COMPOSITIONS FOR ADDITIVE FABRICATION DSM IP ASSETS, B.V. (NL) 2011-06-23 WO disclosed