SCHEMBL23943448

SCHEMBL23943448

C=C(C)C(=O)OCCNC(=O)ONC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 4/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
F10 P00742 1/20 0.40
IDO1 P14902 1/20 0.39
ELANE P08246 1/20 0.39

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
Phosphoric Acid SCHEMBL7716499 0.83 SMN1; SMN2 (0.59) NPSR1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL23943489 0.81 SMN1; SMN2 (0.49) NPSR1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL14368851 0.79 NPC1 (0.55) NPSR1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL4880508 0.79 ALDH1A1 (0.59) SMN1; SMN2POLBKMT2AALDH1A1MAPT
SCHEMBL2953101 0.79 TAAR1 (0.48) SMN1; SMN2POLBALDH1A1MAPTNPC1
SCHEMBL28223328 0.78 POLB (0.54) SMN1; SMN2POLBKMT2AALDH1A1MAPT
SCHEMBL13347309 0.78 IDO1 (0.46) NPSR1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL11996629 0.78 ELANE (0.63) SMN1; SMN2POLBKMT2ANPC1RAB9A
SCHEMBL3945868 0.77 LMNA (0.71) SMN1; SMN2POLBKMT2AALDH1A1MAPT
SCHEMBL8016168 0.77 KMT2A (0.53) NPSR1SMN1; SMN2POLBKMT2AALDH1A1

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
US-20230203221-A1 MONOMERS, POLYMERS, AND ARTICLES FOR BIOMATERIAL CAPTURE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-06-29 US disclosed
WO-2021209859-A1 MONOMERS, POLYMERS, AND ARTICLES FOR BIOMATERIAL CAPTURE 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-10-21 WO disclosed