SCHEMBL26902111

SCHEMBL26902111

O=CNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
ADH1B P00325 3/20 0.33
ADH1A P07327 3/20 0.33
ADH7 P40394 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRMT1 Q99873 1/20 0.32
TLR2 O60603 1/20 0.32
ADH1C P00326 2/20 0.31
LMNA P02545 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ADRA1A P35348 1/20 0.31
EPHX1 P07099 1/20 0.30
ADH4 P08319 1/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL24798449 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL31228430 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL40122 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL25696346 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL27446945 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL31697503 0.89 TSHR (0.43) SMN1; SMN2ADH1BADH1AADH7PMP22
SCHEMBL30822384 0.84 EPHX2 (0.40) SMN1; SMN2ADH1BADH1AADH7MEN1
SCHEMBL29465552 0.84 CA12 (0.40) SMN1; SMN2MEN1KMT2AEGLN1
SCHEMBL17229458 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ABLMPMP22
SCHEMBL30433408 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ABLMPMP22

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-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed