SCHEMBL27588151

SCHEMBL27588151

C=C(CS(=O)(=O)O)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
NAAA Q02083 1/20 0.46
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
HCAR2 Q8TDS4 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 6/20 0.39
HTR2C P28335 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1175051 0.93 TSHR (0.49) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1064184 0.86 TSHR (0.39) TSHRHCAR2ALDH1A1LMNACA1
SCHEMBL8080880 0.81 APP (0.34) TSHR
SCHEMBL17424802 0.80 TSHR (0.48) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL26413 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503795 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375249 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3627611 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375676 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503962 0.80 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1

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-1447831-A Stabilization of silicone or siloxane polymer compositions RHODIA CHIMIE SA (FR) 2003-10-08 CN disclosed