SCHEMBL9853352

SCHEMBL9853352

C=C(C)C(=O)OCCCO.C=CC(=O)OCCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.61
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.42
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL1548515 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21313305 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5025146 0.97 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
1,1-Dichloroethene SCHEMBL7555541 0.95 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21084614 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28033748 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28328305 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3274720 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5835513 0.94 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL932598 0.93 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117772082-A Surface-modified biological microsphere, kit and preparation method thereof 苏州星烁纳米科技有限公司 2024-03-29 CN disclosed
CN-107820503-A Hard coat film for display device and the display device including it 三星电子株式会社 2018-03-20 CN disclosed
CN-104768978-B Shaping light polymer resin composition and multi-layer molded articles DIC株式会社 2017-10-27 CN disclosed
EP-0408858-A1 Copolymers for use in high solids, low volatile organic content coatings BASF Corporation (US) 1991-01-23 EP disclosed