SCHEMBL6533939

SCHEMBL6533939

c1ccc(NC2CC3CCC2(Nc2ccccc2)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
RAD52 P43351 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 4/20 0.32
EPHX2 P34913 1/20 0.32
NR5A2 O00482 2/20 0.31
NR5A1 Q13285 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6849683 0.70 P2RX7 (0.39) DDB1CRBNALDH1A1MEN1LMNA
SCHEMBL26667147 0.66 NR5A2 (0.41) TRPA1DDB1CRBNALDH1A1LMNA
SCHEMBL17980498 0.64 ALDH1A1 (0.49) TRPA1DDB1CRBNALDH1A1MEN1
SCHEMBL30017849 0.64 TRPA1 (0.53) TRPA1DDB1CRBNALDH1A1MEN1
SCHEMBL8148913 0.64 TRPA1 (0.52) TRPA1DDB1CRBNALDH1A1MEN1
SCHEMBL6846932 0.64 ALOX5AP (0.43) DDB1CRBNALDH1A1MAPTL3MBTL1
SCHEMBL138594 0.63 EPHX2 (0.56) ALDH1A1MAPTALOX12P2RX7EPHX2
Hydrochloric Acid SCHEMBL27845477 0.61 EPHX2 (0.54) ALDH1A1MEN1MAPTALOX12KMT2A
SCHEMBL31414997 0.61 TRPA1 (0.54) TRPA1DDB1CRBNALDH1A1MEN1
SCHEMBL26840521 0.61 TRPA1 (0.54) TRPA1DDB1CRBNALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481268-A4 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-06-29 EP disclosed
EP-1481268-A2 NANOFILM AND MEMBRANE COMPOSITIONS Covalent Partners, LLC (US) 2004-12-01 EP disclosed
US-6777111-B1 HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE KABUSHIKI KAISHA CHUO KENKYUSHO (JP) 2004-08-17 US disclosed
WO-2003067286-A2 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 WO disclosed