SCHEMBL8437502

SCHEMBL8437502

CCCCCCCCCCCCNCC(O)CN(CCCCCCCCCCCC)CC(O)CNCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
PAOX Q6QHF9 1/20 0.36
EPHX1 P07099 5/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GGPS1 O95749 1/20 0.33

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
SCHEMBL8436441 1.00 ANPEP (0.42) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8434780 0.98 ANPEP (0.41) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8435076 0.97 ANPEP (0.42) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL20903748 0.93 ANPEP (0.39) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL7533822 0.91 ANPEP (0.46) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL7529136 0.91 ANPEP (0.46) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8437372 0.90 ANPEP (0.41) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL8433801 0.90 ANPEP (0.41) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL20903727 0.89 ANPEP (0.38) ANPEPERAP2ALDH1A1TSHRS1PR2
SCHEMBL11443989 0.87 ANPEP (0.39) ANPEPERAP2ALDH1A1TSHRS1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929283-A HYDROXY AMINES; LOW IN IRRITATIVENESS TO THE SKIN AND HAIR AND EXCELLENT IN FOAMABILITY, AND CAN GIVE A PLEASANT FEELING TO THE USER'S SKIN KAO CORPORATION (JP) 1999-07-27 US disclosed
US-5801270-A Amine derivative and detergent composition containing the same KAO CORPORATION (JP) 1998-09-01 US disclosed
EP-0740651-B1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 1998-08-12 EP disclosed
EP-0740651-A1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1996-11-06 EP disclosed
WO-1995016664-A1 AMINE DERIVATIVE AND DETERGENT COMPOSITION CONTAINING THE SAME KAO CORPORATION (JP) 1995-06-22 WO disclosed