SCHEMBL6664307

SCHEMBL6664307

CCCN(CCC)CCCCCCNCCCCCNCCCCCCN(CCC)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PAOX Q6QHF9 1/20 0.46
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL6658327 1.00 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL755010 1.00 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL755821 1.00 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL6657028 1.00 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL757198 0.97 TSHR (0.52) TSHRALDH1A1PAOXCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6657314 0.95 ALDH1A1 (0.46) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL14943785 0.95 TSHR (0.50) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL11235151 0.93 TSHR (0.48) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL29286404 0.91 TSHR (0.59) TSHRALDH1A1PAOXCYP2C19CYP1A2
SCHEMBL460726 0.90 TSHR (0.65) TSHRALDH1A1PAOXCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 US disclosed