SCHEMBL9709649

SCHEMBL9709649

O=P(O)(O)CCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
TYMS P04818 1/20 0.48
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
THRB P10828 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
CA12 O43570 2/20 0.46

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
Hydrochloric Acid SCHEMBL25311139 0.82 MAPT (0.52) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL8735121 0.81 GRIN2D (0.55) TYMSGRIN2DGRIN3BTHRBGRIN1
Ammonia Solution, Strong SCHEMBL8040024 0.80 HRH3 (0.48) HRH3GRIN2DGRIN3BTHRBGRIN1
SCHEMBL7071242 0.78 GRIN2D (0.49) TYMSGRIN2DGRIN3BTHRBGRIN1
SCHEMBL3975041 0.75 TYMS (0.43) TYMSGRIN2DGRIN3BTHRBGRIN1
SCHEMBL3969202 0.75 TYMS (0.43) TYMSGRIN2DGRIN3BTHRBGRIN1
SCHEMBL25226579 0.75 GRIN2D (0.50) TYMSGRIN2DGRIN3BTHRBGRIN1
SCHEMBL15267648 0.74 LPAR3 (0.50) TYMSGRIN2DGRIN3BTHRBGRIN1
SCHEMBL6046927 0.72 S1PR1 (0.51) HRH3THRBCYP1A2LMNAMAPK1
SCHEMBL3739664 0.71 ANPEP (0.47) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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
WO-1992010526-A1 PROCESS FOR INCREASING THE RELATIVE VISCOSITY OF POLYAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
US-5116919-A Heating in presence of base and phosphonate catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-26 US disclosed