SCHEMBL21099622

SCHEMBL21099622

C=CCN(CC)COCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PLA2G2C Q5R387 1/20 0.36
CES2 O00748 1/20 0.36
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LSS P48449 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL22923000 0.98 MEN1 (0.39) MEN1KMT2APOLBPLA2G2CCES2
SCHEMBL20180899 0.94 MEN1 (0.41) MEN1KMT2APOLBPLA2G2CTSHR
SCHEMBL10071598 0.92 CES2 (0.38) MEN1KMT2APOLBPLA2G2CCES2
Hydrochloric Acid SCHEMBL28369929 0.91 CES2 (0.37) MEN1KMT2APOLBPLA2G2CCES2
SCHEMBL10071611 0.91 CES2 (0.41) MEN1KMT2APLA2G2CCES2TSHR
SCHEMBL10071605 0.91 CES2 (0.41) MEN1KMT2APLA2G2CCES2TSHR
SCHEMBL10071600 0.86 TSHR (0.37) MEN1KMT2APOLBPLA2G2CCES2
Hydrochloric Acid SCHEMBL30885629 0.85 TSHR (0.35) MEN1KMT2APOLBPLA2G2CCES2
SCHEMBL10071608 0.78 MEN1 (0.38) MEN1KMT2APOLBTSHRTDP1
SCHEMBL20180993 0.78 MEN1 (0.42) MEN1KMT2APOLBTDP1

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-20190181347-A1 ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-06-13 US disclosed