SCHEMBL11433232

SCHEMBL11433232

CCCCCCCCCCCCCCCCCCNCC(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
EPHX1 P07099 6/20 0.49
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
S1PR2 O95136 5/20 0.43
S1PR4 O95977 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR5 Q9H228 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GPR84 Q9NQS5 2/20 0.42

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
SCHEMBL28114267 1.00 ACE2 (0.52) ACE2ANPEPERAP2EPHX1LCK
SCHEMBL5595652 1.00 ACE2 (0.52) ACE2ANPEPERAP2EPHX1LCK
SCHEMBL22426296 1.00 ACE2 (0.52) ACE2ANPEPERAP2EPHX1LCK
SCHEMBL18197368 0.92 APAF1 (0.40) ACE2ANPEPERAP2EPHX1
SCHEMBL29951881 0.84 ANPEP (0.44) ACE2ANPEPERAP2SMN1; SMN2S1PR5
SCHEMBL22426302 0.83 CA1 (0.58) ANPEPERAP2EPHX1ALDH1A1TSHR
SCHEMBL11509285 0.83 MAOA (0.48) ANPEPSMN1; SMN2TSHR
SCHEMBL25853699 0.83 ANPEP (0.49) ANPEPERAP2EPHX1ALDH1A1TSHR
SCHEMBL28113852 0.81 ANPEP (0.47) ANPEPERAP2EPHX1ALDH1A1TSHR
SCHEMBL28114271 0.81 ANPEP (0.47) ANPEPERAP2EPHX1ALDH1A1TSHR

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
US-4237268-A SURFACTANTS USED WITH DYES FOR DYEING TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed