SCHEMBL8472159

SCHEMBL8472159

C=C(C)C(=O)OC.C=C(C=CC(=O)O)C(=O)OCCCC.CCCCCCCCCCCCS

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HCAR2 Q8TDS4 4/20 0.45
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.33
THRB P10828 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
SCHEMBL11359332 0.91 TSHR (0.60) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL7974634 0.91 TSHR (0.60) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL459919 0.91 HCAR2 (0.51) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL11660144 0.87 TSHR (0.56) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL3920654 0.86 TSHR (0.69) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL11659779 0.86 TSHR (0.57) TSHRHCAR2ALDH1A1POLBAPEX1
Acrolein SCHEMBL11764836 0.85 HCAR2 (0.46) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL17997323 0.85 TSHR (0.49) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL7261312 0.82 HCAR2 (0.43) TSHRHCAR2ALDH1A1POLBAPEX1
SCHEMBL7154414 0.82 TSHR (0.57) TSHRHCAR2ALDH1A1POLBAPEX1

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-5928830-A Latex processes XEROX CORPORATION (US) 1999-07-27 US disclosed