SCHEMBL11327768

SCHEMBL11327768

NC(CCC(N)(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 0.70
SMPD1 P17405 2/20 0.58
PDE3A Q14432 2/20 0.50
LMNA P02545 2/20 0.50
ADRB3 P13945 1/20 0.50
PDE4D Q08499 1/20 0.50
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
OTC P00480 1/20 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
SCHEMBL5162874 0.88 FDPS (0.64) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL4104675 0.88 FDPS (0.73) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL8825784 0.88 FDPS (0.77) FDPSSMPD1PDE3ALMNAADRB3
Water SCHEMBL5162288 0.85 FDPS (0.70) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL1285892 0.85 FDPS (0.61) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL5054852 0.83 FDPS (0.67) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL4100418 0.83 FDPS (1.00) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL4106973 0.83 FDPS (0.58) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL4098390 0.81 FDPS (0.56) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL12797880 0.81 FDPS (0.56) FDPSSMPD1PDE3ALMNAADRB3

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-4252857-A Flameproofing substrate BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed