SCHEMBL6722894

SCHEMBL6722894

CCCCCCCCCCCC(N)(CCCNCCCCCCCC)CCCNCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
SMPD1 P17405 2/20 0.39
FDPS P14324 1/20 0.39
RELA Q04206 4/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 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
SCHEMBL25243958 0.84 TSHR (0.48) ALDH1A1TSHREPHX1RELACYP1A2
SCHEMBL868284 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL2868221 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL4974182 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL640735 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL8403723 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL7648793 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL242456 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL2865214 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS
SCHEMBL333128 0.83 SMPD1 (0.50) ALDH1A1TSHREPHX1SMPD1FDPS

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
US-6673192-B1 Multi-amine compound primers for bonding of polyolefins with cyanoacrylate adhesives LOCTITE CORPORATION 2004-01-06 US disclosed
WO-1999015580-A1 MULTI-AMINE COMPOUND PRIMERS FOR BONDING OF POLYOLEFINS WITH CYANOACRYLATE ADHESIVES LOCTITE CORPORATION (US) 1999-04-01 WO disclosed