SCHEMBL29951163

SCHEMBL29951163

O=CCSC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ADH1A P07327 5/20 0.33
ADH1C P00326 4/20 0.33
ADH1B P00325 2/20 0.33
ADH4 P08319 2/20 0.33
ADH7 P40394 1/20 0.33
SLC2A1 P11166 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GBA1 P04062 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MC4R P32245 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL11164596 0.76 TDP1 (0.37) KMT2AADH1AADH1CADH1BADH4
SCHEMBL29952703 0.76 PARP14 (0.30)
SCHEMBL1110579 0.75 TRPA1 (0.35) KMT2ASLC2A1ALDH1A1SMN1; SMN2GBA1
SCHEMBL29955067 0.73 TDP1 (0.39) KMT2AADH1AADH1CADH1BADH4
SCHEMBL6148058 0.72
SCHEMBL1110622 0.72
SCHEMBL8702728 0.71 SLC2A1 (0.38) KMT2ASLC2A1ALDH1A1
SCHEMBL8699055 0.71 SLC2A1 (0.38) KMT2ASLC2A1ALDH1A1
SCHEMBL776553 0.69 GBA1 (0.44) KMT2ASLC2A1ALDH1A1GAARAB9A
SCHEMBL780415 0.69 SLC2A1 (0.38) KMT2ASLC2A1ALDH1A1GAARAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed