SCHEMBL29211176

SCHEMBL29211176

CCCCOC(C=O)(OCCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 6/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6511720 0.98 ATM (0.37) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL11748915 0.89 RECQL (0.41) TSHRHPGDCA1CA2HCAR2
SCHEMBL6822786 0.78 ATM (0.37) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL10869033 0.78 ATM (0.37) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL11381438 0.76 ATM (0.35) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL27735547 0.75 TSHR (0.36) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL7749034 0.72 ADRB2 (0.31) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL27735570 0.72 TSHR (0.34) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL3360879 0.70 CYP3A4 (0.42) ATMCYP3A4TSHRADRB2ADRB1
SCHEMBL24829882 0.70 TSHR (0.39) TSHRHPGDCA1CA2HCAR2

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
CN-114621372-B Ultra-high molecular weight ethylene homopolymers and process for preparing the same 中国石油化工股份有限公司 2024-04-09 CN disclosed
CN-114507310-B Ultra-high molecular weight ethylene copolymer and preparation method thereof 中国石油化工股份有限公司 2024-04-02 CN disclosed