SCHEMBL23530367

SCHEMBL23530367

C=C(C)C(=O)OCCCN(C)CCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.49
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM5A P29375 3/20 0.37
KDM4C Q9H3R0 2/20 0.37
DNM1 Q05193 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.32
LTA4H P09960 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 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
SCHEMBL23530333 0.95 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530382 0.93 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530351 0.93 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530396 0.93 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11468052 0.93 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12346273 0.89 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530335 0.88 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL111531 0.88 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530385 0.87 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530386 0.87 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT

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 2 patents. 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
CN-109548402-A Fracturing fluid and hydraulic fracturing method comprising hydrated crystalline forms of a (co) polymer of 2-acrylamido-2-methylpropanesulfonic acid 爱森(中国)絮凝剂有限公司 2019-03-29 CN disclosed