SCHEMBL5718145

SCHEMBL5718145

C=C(C=CC(=O)O)C(=O)OC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
HCAR2 Q8TDS4 4/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 4/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 5/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1780860 0.96 TSHR (0.67) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL19712876 0.94 TSHR (0.59) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL6133308 0.94 TSHR (0.64) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL7207107 0.92 TSHR (0.62) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL3414119 0.92 TSHR (0.66) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL8519821 0.92 TSHR (0.54) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL6133219 0.90 TSHR (0.59) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL5025197 0.89 TSHR (0.58) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL7263921 0.89 TSHR (0.58) TSHRHCAR2HPGDTDP1CYP3A4
SCHEMBL6915106 0.88 TSHR (0.57) TSHRHCAR2HPGDTDP1CYP3A4

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
EP-1332193-B1 ADHESIVE COMPOSITION AND ADHESIVE SHEET 3M INNOVATIVE PROPERTIES CO (US) 2006-12-27 EP claimed