SCHEMBL27985646

SCHEMBL27985646

CC(C)c1cccc(C(C)C)c1NS(=O)(=O)C1CCCC=C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL871906 0.84 TLR4 (0.58) TLR4
SCHEMBL27985969 0.82 TLR4 (0.47) TLR4KMT2A
SCHEMBL28159669 0.81 TLR4 (0.46) TLR4
SCHEMBL27883083 0.79 TLR4 (0.41) TLR4
SCHEMBL27592263 0.75 TLR4 (0.48) TLR4LMNAKMT2A
SCHEMBL27573674 0.75 TLR4 (0.48) TLR4LMNAKMT2A
SCHEMBL28159696 0.75 TLR4 (0.48) TLR4LMNAKMT2A
SCHEMBL27592250 0.75 TLR4 (0.48) TLR4KMT2A
SCHEMBL27573690 0.74 TLR4 (0.52) TLR4LMNAKMT2A
SCHEMBL6053601 0.74 TLR4 (0.52) TLR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102821763-B Compound for inhibiting peripheral nerve disorder induced by anticancer agent 武田药品工业株式会社 2017-09-22 CN disclosed
CN-101212986-B Stable emulsified composition TAKEDA PHARMACEUTICAL 2015-01-14 CN disclosed