SCHEMBL8673115

SCHEMBL8673115

NCCCNOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP1A2 P05177 4/20 0.38
GABBR2 O75899 3/20 0.38
GABBR1 Q9UBS5 3/20 0.38
THPO P40225 3/20 0.38
TSHR P16473 2/20 0.38
ANPEP P15144 1/20 0.36
FDPS P14324 2/20 0.35
PDE3A Q14432 1/20 0.35
CASP2 P42575 2/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 2/20 0.35
F13A1 P00488 2/20 0.35
CA2 P00918 2/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL729525 0.86
SCHEMBL4377620 0.84 ANPEP (0.38) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL28088005 0.84 ANPEP (0.38) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL28858103 0.84 ANPEP (0.38) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL2537119 0.84 ANPEP (0.38) BLMDRD3LMNACYP3A4NFKB1
Ammonia Solution, Strong SCHEMBL8502121 0.84 ANPEP (0.38) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL29275122 0.84 BLM (0.42) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL7163585 0.83 CA12 (0.46) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL7759201 0.82 ANPEP (0.36) BLMDRD3LMNACYP3A4NFKB1
SCHEMBL6931739 0.82 ANPEP (0.36) BLMDRD3LMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824664-A Suppression of HIV expression by organic thiophosphate U.S. BIOSCIENCE, INC. (US) 1998-10-20 US disclosed
WO-1994022307-A1 SUPPRESION OF HIV EXPRESSION BY ORGANIC THIOPHOSPHATE SCHEIN PHILIP A (US) 1994-10-13 WO disclosed