SCHEMBL29007240

SCHEMBL29007240

CCCCCC1(OCC)C=Cc2ccccc2N1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.38
P2RX4 Q99571 5/20 0.36
BCHE P06276 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX1 P51575 2/20 0.34
P2RX3 P56373 2/20 0.34
GAA P10253 1/20 0.33
PTBP1 P26599 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 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
SCHEMBL10743523 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPK1P2RX4BCHE
SCHEMBL21722352 0.78 NR1H2 (0.32) ALDH1A1
SCHEMBL2204621 0.77 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPK1P2RX4BCHE
SCHEMBL2314921 0.75 P2RX4 (0.40) SMN1; SMN2LMNAMAPK1P2RX4ALDH1A1
SCHEMBL38664533 0.75 P2RX4 (0.40) SMN1; SMN2LMNAMAPK1P2RX4ALDH1A1
Propionic Acid SCHEMBL31424601 0.74 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPK1P2RX4BCHE
SCHEMBL27473378 0.73 BCHE (0.49) SMN1; SMN2LMNAMAPK1P2RX4BCHE
SCHEMBL28644142 0.72 P2RX4 (0.38) SMN1; SMN2P2RX4MEN1KMT2AP2RX1
SCHEMBL18153249 0.69 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMAPK1P2RX4BCHE
SCHEMBL11412073 0.66 P2RX4 (0.71) SMN1; SMN2LMNAMAPK1P2RX4BCHE

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
CN-115957338-A High-stability targeting joint-drug conjugate 成都科岭源医药技术有限公司 2023-04-14 CN disclosed