SCHEMBL25705259

SCHEMBL25705259

O=C(O)CCP(=O)(OCCOP(=O)(CCC(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
AOX1 Q06278 1/20 0.45
USP2 O75604 1/20 0.44
CA2 P00918 2/20 0.43
CFTR P13569 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.40
GGH Q92820 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.38
LMNA P02545 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL25705277 0.93 NPSR1 (0.50) NPSR1AOX1USP2CA2CFTR
SCHEMBL28615728 0.92 NPSR1 (0.45) NPSR1AOX1USP2CA2CFTR
SCHEMBL28483737 0.89 MEN1 (0.41) NPSR1AOX1USP2CA2CFTR
SCHEMBL258493 0.86 THRB (0.50) NPSR1AOX1USP2CA2CFTR
SCHEMBL258550 0.85 AOX1 (0.38) NPSR1AOX1USP2CA2MEN1
SCHEMBL13498169 0.82 PKM (0.54) NPSR1AOX1USP2CFTRMEN1
SCHEMBL28774210 0.82 NPSR1 (0.49) NPSR1AOX1USP2CA2CFTR
SCHEMBL28390105 0.82 NPSR1 (0.49) NPSR1AOX1USP2CA2CFTR
SCHEMBL13498175 0.81 AOX1 (0.42) NPSR1AOX1USP2CA2CFTR
SCHEMBL258572 0.80 POLB (0.41) NPSR1AOX1USP2CA2MEN1

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-2023113260-A1 PHOSPHOROUS MONOMER OR OLIGOMER, POLYESTER RESIN COMPRISING SAME, AND THERMOPLASTIC RESIN COMPOSITION 주식회사 엘지화학 2023-06-22 WO disclosed