SCHEMBL11555083

SCHEMBL11555083

CCCCCCCCCCCCNCC(C)NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
EPHX1 P07099 6/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
NAAA Q02083 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36

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
SCHEMBL11557215 1.00 ANPEP (0.45) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11551537 1.00 ANPEP (0.45) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11549928 1.00 ANPEP (0.45) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11555809 1.00 ANPEP (0.45) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11555692 0.91 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL11552102 0.91 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL11520580 0.88 TSHR (0.50) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL7088379 0.86 TSHR (0.52) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11748886 0.85 TSHR (0.46) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL2032341 0.82 SLC6A4 (0.39) HSD17B10

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-4162998-A AMINE CURING AGENT CONTAINING ONLY TWO ACTIVE HYDROGENS, PAVING FOR REPARI WORK KAO SOAP CO., LTD. (JP) 1979-07-31 US disclosed