SCHEMBL4417469

SCHEMBL4417469

CCCCCCCCCCC1CC(C)(C)N(OCCCCCCCC)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 3/20 0.31
EPHX1 P07099 1/20 0.31
LSS P48449 2/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
BLM P54132 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL9334223 1.00 NAAA (0.34) NAAAALDH1A1TDP1EPHX2EPHX1
SCHEMBL7993979 0.93 DNM1 (0.37) NAAAALDH1A1EPHX1SPHK2SPHK1
SCHEMBL7993976 0.93 NAAA (0.31) NAAA
SCHEMBL27491410 0.91 RECQL (0.30) EPHX2RECQLGLAHPGDTSHR
SCHEMBL9039043 0.91 MEN1 (0.35) NAAAALDH1A1EPHX2TSHRMEN1
SCHEMBL15299864 0.88 ALOX5 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15299890 0.88 ALOX5 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15300011 0.88 ALOX5 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15299898 0.88 ALOX5 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15300137 0.88 ALOX5 (0.44) ALDH1A1TDP1TSHRMEN1KMT2A

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-2002923-B1 PASTY COMPOSITION FOR ALUMINUM BRAZING, ALUMINUM-CONTAINING MEMBER COATED WITH THE SAME, AND METHOD OF BRAZING ALUMINUM-CONTAINING MEMBER WITH THE SAME TOYO ALUMINIUM KK (JP) 2018-10-03 EP disclosed
CN-107207827-A Method for producing resin additive composition and resin additive composition 株式会社艾迪科 2017-09-26 CN disclosed
EP-2002923-A9 PASTY COMPOSITION FOR ALUMINUM BRAZING, ALUMINUM-CONTAINING MEMBER COATED WITH THE SAME, AND METHOD OF BRAZING ALUMINUM-CONTAINING MEMBER WITH THE SAME TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2002923-A2 PASTY COMPOSITION FOR ALUMINUM BRAZING, ALUMINUM-CONTAINING MEMBER COATED WITH THE SAME, AND METHOD OF BRAZING ALUMINUM-CONTAINING MEMBER WITH THE SAME TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2008-12-17 EP disclosed