SCHEMBL9682225

SCHEMBL9682225

C=C(C)C(=O)OCCCOC(=O)C(=C)C.C=CCOC(=O)C(=C)C.C=CCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
THRB P10828 1/20 0.48
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.38
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
SNCA P37840 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
SCHEMBL9696561 0.92 THRB (0.57) TSHRTHRBTDP1POLBAPEX1
SCHEMBL7997856 0.91 TSHR (0.66) TSHRTHRBTDP1POLBAPEX1
Ethylene SCHEMBL5680057 0.90 THRB (0.55) TSHRTHRBTDP1POLBAPEX1
SCHEMBL6269152 0.90
SCHEMBL8921614 0.90
SCHEMBL1057516 0.90 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL28226548 0.90 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL22017 0.90
SCHEMBL4823985 0.90
SCHEMBL15130313 0.90 TSHR (0.74) TSHRTHRBTDP1POLBAPEX1

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-0485197-A1 Polymers and their use for ophthalmic lenses NESTLE S.A. (CH) 1992-05-13 EP disclosed