SCHEMBL6656748

SCHEMBL6656748

CCC(N)(CC)CCCNCCCCNCCCC(N)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 3/20 0.42
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F13A1 P00488 2/20 0.38
ALOX15 P16050 2/20 0.38
THPO P40225 2/20 0.38
CASP2 P42575 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5313850 0.89 CA12 (0.50) TSHRCYP2C19CYP1A2CA12CA2
SCHEMBL25989958 0.84 TSHR (0.56) TSHRALDH1A1CYP2C19CYP1A2CA2
SCHEMBL6631196 0.81 ALDH1A1 (0.30) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL25990023 0.81 TSHR (0.46) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL6722894 0.79 ALDH1A1 (0.56) TSHRALDH1A1CYP2C19CYP1A2RELA
SCHEMBL6656754 0.79 TSHR (0.44) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL8492210 0.79 CYP2C19 (0.41) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL22667575 0.78 CA12 (0.48) TSHRALDH1A1CYP2C19CYP1A2CA12
SCHEMBL10424007 0.78 EPHX1 (0.44)
SCHEMBL21324106 0.78 CYP2C19 (0.32) TSHRALDH1A1CYP2C19CYP1A2MEN1

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 1 patent. 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