SCHEMBL27592234

SCHEMBL27592234

O=C(O)C1=CCCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.73
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.38
PYGL P06737 1/20 0.37
MAPT P10636 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
ACLY P53396 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL872269 0.97 TLR4 (0.73) TLR4KMT2ANPC1RAB9AHPGD
SCHEMBL3690868 0.97 TLR4 (0.73) TLR4KMT2ANPC1RAB9AHPGD
SCHEMBL722368 0.97 TLR4 (0.73) TLR4KMT2ANPC1RAB9AHPGD
SCHEMBL27592449 0.92 TLR4 (0.72) TLR4KMT2ANPC1RAB9AHPGD
SCHEMBL28159349 0.85 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL6229405 0.85 TLR4 (0.58) TLR4KMT2ANPC1RAB9AHPGD
SCHEMBL872918 0.85 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL16950256 0.85 TLR4 (0.66) TLR4KMT2ANPC1RAB9AMAPT
SCHEMBL871253 0.85 TLR4 (1.00) TLR4KMT2AMRGPRX1LMNA
SCHEMBL6053336 0.83 TLR4 (0.61) TLR4KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102670503-A Stable emulsion composition TAKEDA PHARMACEUTICAL 2012-09-19 CN disclosed
CN-1416341-B Stable emulsion compositions TAKEDA CHEMICAL INDUSTRIES LTD 2010-05-05 CN disclosed
CN-101212986-A stable emulsified composition TAKEDA PHARMACEUTICAL (JP) 2008-07-02 CN disclosed
CN-1416341-A Stable emulsion compsns TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 CN disclosed