SCHEMBL8534137

SCHEMBL8534137

CC(C)c1cc(CC2SCNC2=O)cc(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
MAOA P21397 2/20 0.40
CISD1 Q9NZ45 2/20 0.40
MAOB P27338 1/20 0.40
GSR P00390 1/20 0.40
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2B6 P20813 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRB1 P18505 4/20 0.34
GABRB2 P47870 2/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL8173779 0.78 CYP3A4 (0.42) MAOACISD1MAOBCYP3A4MEN1
Tazofelone SCHEMBL380266 0.78 ALDH1A1 (0.40) MAOACISD1MAOBGSRMAPT
Tazofelone SCHEMBL7562446 0.78 ALDH1A1 (0.40) MAOACISD1MAOBGSRMAPT
Tazofelone SCHEMBL7561505 0.78 ALDH1A1 (0.40) MAOACISD1MAOBGSRMAPT
SCHEMBL8535419 0.77 MAOA (0.39) MAOACISD1MAOB
SCHEMBL8173225 0.75 MAPT (0.38) MAPTMEN1KMT2APTGS2
SCHEMBL8536663 0.75 MAPK1 (0.41) THRATHRBMAOACISD1MAOB
SCHEMBL8537481 0.75 MAOA (0.37) MAOACISD1MAOB
SCHEMBL8537473 0.74 CA2 (0.54) THRATHRBMAOACISD1MAOB
SCHEMBL8534157 0.74 MAOA (0.48) MAOACISD1MAOBMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5387690-A Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1995-02-07 US disclosed
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed