SCHEMBL9508487

SCHEMBL9508487

CCC[CH]C(=O)NCCCCN

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.50
SLC6A5 Q9Y345 2/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
DPP7 Q9UHL4 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
RRM1 P23921 1/20 0.40
EPHX1 P07099 5/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DDAH1 O94760 1/20 0.37

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
SCHEMBL9505930 0.94 SLC6A5 (0.44) PAOXSLC6A5ZDHHC20ZDHHC2GNAI3
SCHEMBL28179342 0.85 ZDHHC20 (0.63) ZDHHC20ZDHHC2EPHX1
SCHEMBL6863656 0.84 ZDHHC20 (0.52) ZDHHC20ZDHHC2EPHX1MAPT
SCHEMBL6866414 0.80 MMP1 (0.41) PAOXZDHHC20ZDHHC2EPHX1
SCHEMBL28969054 0.79 ZDHHC20 (0.61) PAOXSLC6A5ZDHHC20ZDHHC2GNAI3
SCHEMBL10704983 0.76 SLC6A5 (0.49) SLC6A5ZDHHC20ZDHHC2GNAI3GNAO1
SCHEMBL6445314 0.76 CNR1 (0.41) ZDHHC20ZDHHC2MAPTMEN1KMT2A
SCHEMBL4770870 0.75 PAOX (0.36) PAOXSLC6A5GNAI3GNAO1GNAI1
SCHEMBL28735534 0.74 PAOX (0.50) PAOXSLC6A5ZDHHC20ZDHHC2GNAI3
SCHEMBL497631 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP disclosed
US-5096593-A SEPARATION MATERIAL DERIVED FROM GLUCOMANNAN FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1992-03-17 US disclosed
EP-0434354-A1 Separation material for blood coagulation factor, preparation and use thereof KURITA WATER INDUSTRIES LTD. (JP) 1991-06-26 EP disclosed