SCHEMBL8456563

SCHEMBL8456563

O=S(O)c1ccccc1.[HH].[HH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
EPHX1 P07099 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
ALOX15 P16050 1/20 0.33
G6PD P11413 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL7969703 0.97 HPGD (0.41) HPGDEPHX1EPHX2ALDH1A1CES2
SCHEMBL64469 0.97 HPGD (0.41) HPGDEPHX1EPHX2ALDH1A1CES2
Water SCHEMBL459188 0.94 HPGD (0.40) HPGDEPHX1EPHX2ALDH1A1CES2
Water SCHEMBL10833319 0.94 HPGD (0.40) HPGDEPHX1EPHX2ALDH1A1CES2
SCHEMBL10663817 0.94 HPGD (0.43) HPGDEPHX1EPHX2ALDH1A1CES2
SCHEMBL49328 0.94
SCHEMBL9175 0.94
SCHEMBL16674608 0.94
SCHEMBL1023085 0.92 HPGD (0.41) HPGDEPHX1EPHX2ALDH1A1CES2
SCHEMBL1021742 0.92 HPGD (0.41) HPGDEPHX1EPHX2ALDH1A1CES2

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
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed