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SCHEMBL1863370

SCHEMBL1863370

CCc1ccccc1C(=O)OC[C@@H]1COC2(C=C(C(=O)O)C(S(=O)(=O)Nc3ccc(F)cc3Cl)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 5/20 0.47
▸ MRGPRX1 Q96LB2 5/20 0.33
▸ TSPO P30536 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ C5AR1 P21730 2/20 0.31
▸ HTR7 P34969 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL1862039 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOKMT2ALMNA
SCHEMBL4151044 0.92 TLR4 (0.48) TLR4MRGPRX1KMT2AHTR7POLB
SCHEMBL4153914 0.92 TLR4 (0.48) TLR4MRGPRX1KMT2AHTR7POLB
SCHEMBL17727732 0.92 TLR4 (0.48) TLR4MRGPRX1KMT2AHTR7POLB
SCHEMBL1862038 0.87 TLR4 (0.57) TLR4MRGPRX1TSPOLMNATP53
SCHEMBL1863367 0.87 TLR4 (0.57) TLR4MRGPRX1TSPOLMNATP53
SCHEMBL4150878 0.84 TLR4 (0.47) TLR4MRGPRX1KMT2ALMNATP53
SCHEMBL4146695 0.84 TLR4 (0.47) TLR4MRGPRX1KMT2ALMNATP53
SCHEMBL4140826 0.83 TLR4 (0.47) TLR4MRGPRX1TSPOKMT2ALMNA
SCHEMBL4157181 0.82 TLR4 (0.50) TLR4MRGPRX1KMT2APOLB

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
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 — — US disclosed