SCHEMBL8778740

SCHEMBL8778740

CCCCCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.59
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL8778748 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL2446192 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL588204 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL27510240 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL6673936 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL16087603 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL5963682 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL10616984 1.00 PSIP1 (0.59) PSIP1HDAC1HDAC2HDAC8HDAC3
SCHEMBL6675532 0.98 PSIP1 (0.57) PSIP1HDAC1HDAC2HDAC8HDAC3
Fluoride SCHEMBL28303873 0.98 PSIP1 (0.57) PSIP1HDAC1HDAC2HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP claimed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US disclosed