SCHEMBL28070583

SCHEMBL28070583

C=CC(=O)OCC(C)CCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
HPGD P15428 1/20 0.53
ACE2 Q9BYF1 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 5/20 0.43
ZDHHC7 Q9NXF8 1/20 0.41
ABCB1 P08183 1/20 0.39
THRB P10828 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
THRA P10827 1/20 0.38
GPR84 Q9NQS5 2/20 0.38

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
SCHEMBL651295 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL27927889 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL3764922 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL11063165 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL6451963 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL652832 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL651685 1.00 TSHR (0.59) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL991726 0.98 TSHR (0.61) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL990755 0.93 TSHR (0.68) TSHRHPGDACE2ALDH1A1CYP3A4
SCHEMBL27646428 0.88 TSHR (0.61) TSHRHPGDACE2ALDH1A1CYP3A4

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-2022039266-A1 VISCOSITY INDEX IMPROVER COMPOSITION AND LUBRICATING OIL COMPOSITION 三洋化成工業株式会社 2022-02-24 WO disclosed
CN-105754494-A Method for preparing antibacterial anti-adhesive-failure paperboard adhesive 句容市鼎盛纸箱包装有限公司 2016-07-13 CN disclosed