SCHEMBL8965825

SCHEMBL8965825

C=C(C)C(=O)OCCCC(C)(C)COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.36
FFAR1 O14842 1/20 0.31
CPT2 P23786 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
SCHEMBL8966019 0.89 THRB (0.48) TSHRTHRBTDP1POLBAPEX1
SCHEMBL4796812 0.87 TSHR (0.65) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16678759 0.87 TSHR (0.65) TSHRTHRBTDP1POLBAPEX1
SCHEMBL12623794 0.86 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL13657469 0.86 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8773894 0.85 THRB (0.57) TSHRTHRBTDP1POLBAPEX1
SCHEMBL20925611 0.84 TSHR (0.51) TSHRTHRBTDP1POLBAPEX1
SCHEMBL1108012 0.83 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL13651135 0.83 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL28769246 0.83 TSHR (0.59) TSHRTHRBTDP1ALDH1A1FFAR1

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed