SCHEMBL23007754

SCHEMBL23007754

CC(C)Cc1cccc(C=O)c1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ERN1 O75460 3/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRIM24 O15164 1/20 0.32

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
SCHEMBL548215 0.82 KMT2A (0.48) GABRA1GABRB2MEN1LMNATHRB
SCHEMBL11504593 0.80 GABRA1 (0.66) GABRA1GABRB2MEN1LMNATHRB
SCHEMBL15789377 0.80 GABRA1 (0.46) GABRA1GABRB2MEN1LMNATHRB
SCHEMBL1970798 0.78 GABRA1 (0.56) GABRA1GABRB2ELANECTSGCYP2A6
SCHEMBL954574 0.76 GABRA1 (0.54) GABRA1GABRB2MEN1LMNAKMT2A
SCHEMBL10587634 0.75 LMNA (0.42) MEN1LMNATHRBBLMKMT2A
SCHEMBL2287987 0.74 GABRA1 (0.40) GABRA1GABRB2MEN1LMNATHRB
SCHEMBL11142154 0.73 KMT2A (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL26606754 0.73 ERN1 (0.31) GABRA1GABRB2ALDH1A1ERN1SMN1; SMN2
SCHEMBL953300 0.72 GABRA1 (0.48) GABRA1GABRB2MEN1LMNAKMT2A

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-2021030703-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 WO disclosed