SCHEMBL28075392

SCHEMBL28075392

CCCCCCCCCCOC(=O)C(C)=CC=C(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
HCAR2 Q8TDS4 2/20 0.49
NAAA Q02083 1/20 0.47
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
FAAH O00519 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.42
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 4/20 0.40

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
SCHEMBL21360132 1.00 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL4356482 1.00 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL21817064 1.00 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL27747549 0.93 ALDH1A1 (0.50) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL7948426 0.87 TSHR (0.50) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL28095765 0.86 TSHR (0.40) TSHRHCAR2NAAAALDH1A1ACHE
SCHEMBL28112086 0.86 TSHR (0.40) TSHRHCAR2NAAAALDH1A1ACHE
SCHEMBL28109339 0.86 TSHR (0.40) TSHRHCAR2NAAAALDH1A1ACHE
SCHEMBL28146257 0.86 TSHR (0.40) TSHRHCAR2NAAAALDH1A1ACHE
SCHEMBL28172739 0.86 TSHR (0.40) TSHRHCAR2NAAAALDH1A1ACHE

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
CN-105849161-A Molded resin object and use thereof 日本合成化学工业株式会社 2016-08-10 CN disclosed