SCHEMBL10485205

SCHEMBL10485205

O=S(=O)(O)C1CC=Cc2cc3ccccc3cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL25549138 0.75 ALDH1A1 (0.33)
SCHEMBL1313656 0.75 CYP1A2 (0.33) F2PRSS1CA1CA2CES2
SCHEMBL11433359 0.73 POLB (0.38) TSHRLMNACES2CES1
SCHEMBL28864576 0.72 CES2 (0.33) F2PRSS1CES2CES1
SCHEMBL5025415 0.71 CYP2A6 (0.33) LMNAMCOLN3
SCHEMBL7753185 0.71 CYP2D6 (0.30)
SCHEMBL31245686 0.70 KDM4E (0.34) F2PRSS1CES2CES1
SCHEMBL10878544 0.69 TDP1 (0.31)
SCHEMBL15859481 0.68 CA1 (0.32) CA1CA2
SCHEMBL28132004 0.68 CYP2A6 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE32943-E SOLUBILIZING, STABILIZING HONSHU SEISHI KABUSHIKI KAISHA (JP) 1989-06-06 US claimed
US-4181565-A Process for cooking lignocellulosic material in the presence of hydroxyanthracenes and derivatives thereof HONSHU SEISHI KABUSHIKI KAISHA (JP) 1980-01-01 US claimed
US-4181565-A Process for cooking lignocellulosic material in the presence of hydroxyanthracenes and derivatives thereof HONSHU SEISHI KABUSHIKI KAISHA (JP) 1980-01-01 US disclosed