SCHEMBL8533710

SCHEMBL8533710

CCCc1cc(CC2SCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.40
GAA P10253 5/20 0.34
KMT2A Q03164 4/20 0.34
MAOA P21397 2/20 0.34
CISD1 Q9NZ45 2/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 7/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
TSHR P16473 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
BLM P54132 2/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 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
SCHEMBL8535419 0.89 MAOA (0.39) MAOACISD1MAOB
Tazofelone SCHEMBL7561505 0.88 ALDH1A1 (0.40) GAAKMT2AMAOACISD1MAOB
Tazofelone SCHEMBL380266 0.88 ALDH1A1 (0.40) GAAKMT2AMAOACISD1MAOB
Tazofelone SCHEMBL7562446 0.88 ALDH1A1 (0.40) GAAKMT2AMAOACISD1MAOB
SCHEMBL8534157 0.83 MAOA (0.48) GAAKMT2AMAOACISD1MAOB
SCHEMBL8933496 0.79 ALDH1A1 (0.41) HSPA5GAAALDH1A1TSHRHIF1A
SCHEMBL9684390 0.79 CA2 (0.45) HSPA5GAAKMT2AMAOACISD1
SCHEMBL8822837 0.78 GAA (0.41) GAAKMT2AALDH1A1KDM4EMAPT
SCHEMBL9474110 0.78 DHFR (0.36) MAOACISD1MAOB
SCHEMBL8582850 0.77 HSPA5 (0.40) HSPA5GAAKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US claimed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO 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