SCHEMBL28654089

SCHEMBL28654089

CCCc1c(C=O)cccc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 6/20 0.34
TSHR P16473 3/20 0.34
ERN1 O75460 3/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
CA1 P00915 1/20 0.32
HPGD P15428 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL28269803 0.90 ALDH1A1 (0.36) ALOX12TDP1MEN1BLMKMT2A
SCHEMBL7178419 0.77 ALDH1A1 (0.52) TDP1MEN1BLMKMT2ALMNA
SCHEMBL21517834 0.77 MEN1 (0.39) TDP1MEN1BLMKMT2ALMNA
SCHEMBL14237093 0.75 ERN1 (0.48) TDP1MEN1BLMKMT2ALMNA
SCHEMBL15789301 0.75 MEN1 (0.38) TDP1MEN1BLMKMT2ALMNA
SCHEMBL6893190 0.75 ERN1 (0.52) TDP1MEN1BLMKMT2ALMNA
SCHEMBL17428937 0.75 MEN1 (0.42) TDP1MEN1BLMKMT2ALMNA
Ammonia Solution, Strong SCHEMBL27504446 0.75 MEN1 (0.38) TDP1MEN1BLMKMT2ALMNA
SCHEMBL5871943 0.74 ALOX12 (0.33) ALOX12TDP1MEN1BLMKMT2A
SCHEMBL8322402 0.73 ALOX12 (0.35) ALOX12THRBCA2ALDH1A1HPGD

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
CN-113710785-A Compound and detergent composition 联合利华知识产权控股有限公司 2021-11-26 CN disclosed