SCHEMBL9712093

SCHEMBL9712093

CC(O)Sc1ccccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
ERN1 O75460 3/20 0.39
TYR P14679 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD1 P21728 1/20 0.38
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR2 O60603 1/20 0.34

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
SCHEMBL2800846 0.84 LMNA (0.48) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL9711996 0.84 ERN1 (0.40) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL18753527 0.77 ALDH1A1 (0.42) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL7347117 0.76 DRD1 (0.56) TRIM24TRIM33LMNAMEN1THRB
Isopropylamine SCHEMBL28787289 0.74 LMNA (0.46) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL173014 0.73 LMNA (0.55) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL9198990 0.73 GABRA1 (0.44) LMNAMEN1BLMKMT2ATDP1
SCHEMBL29517618 0.73 LMNA (0.55) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL8973253 0.73 LMNA (0.55) TRIM24TRIM33LMNAMEN1THRB
SCHEMBL5184970 0.73 P4HB (0.39) LMNAMEN1KMT2AALDH1A1TSHR

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-0309839-B1 PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-04 EP claimed