SCHEMBL16949986

SCHEMBL16949986

C[C@H](O)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ ACHE P22303 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TARDBP Q13148 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL16982821 1.00 KMT2A (0.52) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL16207669 0.88 CA12 (0.48) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL16207668 0.88 CA12 (0.48) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL7840541 0.86 ACHE (0.56) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL13377561 0.85 HSD17B10 (0.59) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL2378783 0.84 KMT2A (0.60) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL15892712 0.84 KMT2A (0.60) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL14696371 0.82 KMT2A (0.61) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL21049794 0.81 HSD17B10 (0.54) KMT2AACHEHSD17B10TARDBPMEN1
SCHEMBL21049795 0.81 HSD17B10 (0.54) KMT2AACHEHSD17B10TARDBPMEN1

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
EP-2902503-A1 Functionalized metal nanoparticles and uses thereof for detecting nucleic acids Fundación Imdea Nanociencia (ES) 2015-08-05 — — EP disclosed
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