SCHEMBL7623903

SCHEMBL7623903

O=C(O)C(Cl)(Cl)CCCCC[S+]([O-])CCCCCc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
LTB4R Q15722 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
PPARA Q07869 2/20 0.37

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
SCHEMBL7620776 0.89 HDAC3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL7615412 0.89 HDAC3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL682183 0.89 HDAC3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL7616067 0.83 OPRK1 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL9056155 0.83 S1PR2 (0.46) LTB4RHDAC1
SCHEMBL4661178 0.82 HDAC3 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL8463990 0.81 HDAC3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL7613532 0.81 S1PR2 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL7616376 0.81 S1PR2 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R
SCHEMBL4662607 0.80 ACACB (0.45) PLAAT3PLAAT5PLAAT2PLAAT4LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed