SCHEMBL23530396

SCHEMBL23530396

C=C(C)C(=O)OCCCN(C)CCCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.42
DNM1 Q05193 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4C Q9H3R0 6/20 0.38
KDM5A P29375 4/20 0.38
HPGD P15428 1/20 0.38
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL23530335 0.95 TSHR (0.69) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL23530386 0.93 TSHR (0.72) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL23530385 0.93 TSHR (0.72) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL13902792 0.93 TSHR (0.61) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL23530367 0.93 TSHR (0.61) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL11468052 0.93 TSHR (0.58) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL23530333 0.88 TSHR (0.64) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL868944 0.88 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL111531 0.88 TSHR (0.58) TSHRTHRBALDH1A1DNM1POLB
SCHEMBL23530351 0.87 TSHR (0.67) TSHRTHRBALDH1A1DNM1POLB

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-2021122709-A1 TEXTILE COATED WITH MALODOR REDUCING POLYMERS BASF SE (DE) 2021-06-24 WO disclosed