SCHEMBL6274865

SCHEMBL6274865

C=C(C=C(C)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
HCAR2 Q8TDS4 2/20 0.45
NAAA Q02083 1/20 0.43
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 2/20 0.37

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
SCHEMBL17063567 1.00 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL14660709 1.00 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL28078386 1.00 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
Methacrylic Acid SCHEMBL14661240 0.97 TSHR (0.61) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL7730836 0.94 TSHR (0.67) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL168598 0.94 TSHR (0.50) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL7974868 0.92 TSHR (0.59) TSHRHCAR2NAAARAD52NPSR1
Methacrylic Acid SCHEMBL725335 0.91 TSHR (0.51) TSHRHCAR2NAAARAD52NPSR1
Oxirane SCHEMBL2529221 0.87 TSHR (0.44) TSHRHCAR2NAAANPSR1ALDH1A1
SCHEMBL11698023 0.87 TSHR (0.44) TSHRHCAR2NAAANPSR1ALDH1A1

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
JP-2005239586-A CLEANSING COSMETIC POLA CHEM IND INC 2005-09-08 JP disclosed