SCHEMBL7436387

SCHEMBL7436387

NCC(=O)NCCCCCCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.63
ADRA1A P35348 1/20 0.59
LMNA P02545 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
PLG P00747 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
SLC6A2 P23975 1/20 0.52
RECQL P46063 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHX2 P34913 3/20 0.51
NFKB1 P19838 2/20 0.50
TSHR P16473 2/20 0.50
PMP22 Q01453 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
PLA2G2A P14555 1/20 0.49

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
SCHEMBL8519057 1.00 PRMT1 (0.63) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL19520656 0.98 PRMT1 (0.59) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL1706510 0.91 ATM (0.52) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL7444117 0.90 PRMT1 (0.52) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL24611784 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL14198854 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL26869544 0.86 PRMT1 (0.61) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL20663420 0.86 PRMT1 (0.61) PRMT1ADRA1ALMNAALDH1A1MEN1
SCHEMBL10276926 0.85 ALDH1A1 (0.48) PRMT1ADRA1AALDH1A1MEN1KMT2A
SCHEMBL11468363 0.85 PRMT1 (0.71) PRMT1ADRA1ALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725797-B1 BIVALENT THROMBIN INHIBITORS CA NAT RESEARCH COUNCIL (CA) 2001-01-10 EP claimed
WO-1996030407-A1 BIFUNCTIONAL THROMBIN INHIBITORS BEARING HIGHLY TRUNCATED FIBRINOGEN RECOGNITION EXOSITE BINDING COMPONENT NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-10-03 WO claimed
EP-0725797-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-08-14 EP claimed
WO-1995011921-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-05-04 WO claimed
EP-0725797-B1 BIVALENT THROMBIN INHIBITORS CA NAT RESEARCH COUNCIL (CA) 2001-01-10 EP disclosed
US-6127337-A BASED ON HIRUDIN BUT WITH REDUCED SIZE; ACTIVE SITE INHIBITOR SEGMENT SUBSTITUTED BY SMALL NON-SUBSTRATE TYPE ACTIVE SITE INHIBITORS OF THROMBIN, SUCH AS DANSYL-ARG-(D-PIPECOLIC ACID); LINKER AND FIBRINOGEN RECOGNITION EXOSITE PORTION NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2000-10-03 US disclosed
WO-1996030407-A1 BIFUNCTIONAL THROMBIN INHIBITORS BEARING HIGHLY TRUNCATED FIBRINOGEN RECOGNITION EXOSITE BINDING COMPONENT NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-10-03 WO disclosed
EP-0725797-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-08-14 EP disclosed
WO-1995011921-A1 BIVALENT THROMBIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-05-04 WO disclosed