SCHEMBL7626438

SCHEMBL7626438

O=C(O)CCCCCCCCCCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL11639848 0.93 ALDH1A1 (0.55) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11641205 0.85 SLC6A3 (0.57) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11635187 0.77 HDAC1 (0.53) SLC6A3CYP3A4HDAC3HDAC4HDAC1
SCHEMBL27419326 0.77 SLC6A3 (0.55) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15313231 0.76 SLC6A3 (0.59) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6683924 0.75 SLC6A3 (0.58) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7773626 0.74 TBXAS1 (0.73) SLC6A3CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL7683666 0.74 TBXAS1 (0.73) SLC6A3CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL14288501 0.74 SLC6A3 (0.57) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7963110 0.74 SLC6A3 (0.57) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9

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
US-6447656-B1 Biosensor AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 2002-09-10 US disclosed
EP-0986747-A4 IMPROVED BIOSENSOR AU MEMBRANE & BIOTECH RES INST (AU) 2001-07-25 EP disclosed
EP-0986747-A1 IMPROVED BIOSENSOR AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 2000-03-22 EP disclosed
WO-1998055854-A1 IMPROVED BIOSENSOR AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1998-12-10 WO disclosed