SCHEMBL6835463

SCHEMBL6835463

O=P(O)(O)CCC(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.44
TYMS P04818 1/20 0.43
FOLH1 Q04609 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ANPEP P15144 1/20 0.36
FDPS P14324 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL242286 0.85 ENPEP (0.50) ENPEPTYMSFOLH1ALDH1A1TDP1
SCHEMBL7262360 0.84 TYMS (0.52) ENPEPTYMSALDH1A1TDP1LMNA
SCHEMBL19211977 0.78 ENPEP (0.44) ENPEPTYMSFOLH1ALDH1A1TDP1
SCHEMBL19212140 0.78 ENPEP (0.44) ENPEPTYMSFOLH1ALDH1A1TDP1
SCHEMBL1230857 0.76 THRB (0.46) ENPEPTYMSFOLH1ALDH1A1TDP1
SCHEMBL1231383 0.76 THRB (0.46) ENPEPTYMSFOLH1ALDH1A1TDP1
Phosphoric Acid SCHEMBL6260936 0.74 THRB (0.36) ALDH1A1TDP1FDPSTHRB
SCHEMBL5065179 0.74 ENPEP (0.64) ENPEPTYMSALDH1A1TDP1S1PR2
Hydrochloric Acid SCHEMBL13726009 0.72 ENPEP (0.61) ENPEPTYMSALDH1A1TDP1S1PR2
Hydrochloric Acid SCHEMBL13725879 0.72 ENPEP (0.61) ENPEPTYMSALDH1A1TDP1S1PR2

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-6750286-B1 FOR PRODUCING MULTICOAT FINISHES ON PLASTICS BASF COATINGS AG (DE) 2004-06-15 US disclosed