SCHEMBL6997512

SCHEMBL6997512

CCCCCCCCCCCCCCSSN(SSCCCCCCCCCCCCCC)C(=O)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
FABP4 P15090 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL30998830 0.78 GPR84 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27398711 0.78 GPR84 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL31262790 0.78 GPR84 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL10077569 0.76 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8814634 0.76 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL30998848 0.76 TSHR (0.62) GPR84PPARGPPARDPPARAHDAC11
Dioctylsulfane SCHEMBL27493878 0.74 HSD17B10 (0.69) GPR84PPARGPPARDPPARAHDAC11
Succinic Acid SCHEMBL28154805 0.74 HSD17B10 (0.69) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL6996893 0.73 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL14566020 0.73 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11

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-1112249-B1 DITHIOCARBAMYL DERIVATIVES USEFUL AS LUBRICANT ADDITIVES UNIROYAL CHEM CO INC (US) 2003-01-02 EP disclosed
EP-1112249-A1 DITHIOCARBAMYL DERIVATIVES USEFUL AS LUBRICANT ADDITIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2001-07-04 EP disclosed
US-6117826-A ANTI-WEAR PROPERTIES; REDUCING FRICTION; ANTIOXIDANT UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-09-12 US disclosed
WO-2000014061-A1 DITHIOCARBAMYL DERIVATIVES USEFUL AS LUBRICANT ADDITIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-03-16 WO disclosed
US-5789357-A LUBRICANTS FOR EXTREME PRESSURE LUBRICANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-08-04 US disclosed