SCHEMBL4948735

SCHEMBL4948735

COc1ccc(C(OCC(C)c2cc(OCCO)ccc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ MAPT P10636 6/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ ALPG P10696 1/20 0.35

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
SCHEMBL4953278 0.79 KMT2A (0.36) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4948741 0.79 KMT2A (0.41) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8332629 0.77 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3994109 0.76 KIF11 (0.46) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL1590227 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8072121 0.71 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7133636 0.70 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2490410 0.70 SLC6A11 (0.50) KMT2AMEN1SLC6A1
SCHEMBL992028 0.70 SLC6A11 (0.50) KMT2AMEN1SLC6A1
SCHEMBL4627811 0.69 ALDH1A1 (0.42) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1

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-2008107489-A1 APTAMER-BASED REAGENTS FOR A TARGET MOLECULE INVOLVED IN HEMOSTASIS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2008-09-12 — — WO disclosed
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