SCHEMBL9541848

SCHEMBL9541848

O=P(O)(O)CCC(O)c1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.31
ANPEP P15144 2/20 0.30
ERAP1 Q9NZ08 2/20 0.30
ERAP2 Q6P179 1/20 0.30

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
SCHEMBL8386931 0.83 POLB (0.36) ALDH1A1
SCHEMBL9251937 0.78
Phosphonic Acid SCHEMBL9541854 0.75 LMNA (0.36) ATM
SCHEMBL9360437 0.73 S1PR2 (0.35) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL9247999 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
Phosphonic Acid SCHEMBL8386932 0.72 ATM (0.31) ATM
SCHEMBL9251439 0.71 S1PR1 (0.32) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9541657 0.67 ATM (0.34) ATM
SCHEMBL9540529 0.65 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL9542022 0.65 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3ALDH1A1

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
WO-1993015610-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1993-08-19 WO disclosed