SCHEMBL7062767

SCHEMBL7062767

C=C(C)C(=O)OCCCCCCO.CC(CO)(CO)CO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.43
ACHE P22303 6/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 3/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP3A4 P08684 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
SCHEMBL2763349 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL3504159 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL3503114 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL341500 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
1,6-Hexanediol SCHEMBL8740541 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL37007 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL25498 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
1,6-Hexanediol SCHEMBL2679954 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
1,6-Hexanediol SCHEMBL18725299 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT
SCHEMBL199016 0.89 TSHR (0.71) TSHRTDP1POLBAPEX1HTT

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
US-20030225239-A1 Michael addition type urethane urea resin, production process therefor, adhesive, production process therefor, coating agent for forming ink receiving layer and recording material TOYO INK MANUFACTURING CO., LTD. (JP) 2003-12-04 US disclosed