SCHEMBL6235820

SCHEMBL6235820

O=C(O)Cc1ccc(S)cc1.O=C(O)Cc1ccc(S)cc1.O=C(O)Cc1ccc(S)cc1.O=C(O)Cc1ccc(S)cc1.OCC(CO)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CAMK2A Q9UQM7 1/20 0.50
AKR1B1 P15121 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
ABCC4 O15439 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FFAR1 O14842 1/20 0.43
POLB P06746 2/20 0.42
NSD2 O96028 1/20 0.42
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL165930 0.88 CA2 (0.62) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL1527709 0.88 CA2 (0.62) CA2CAMK2AAKR1B1LMNAGAA
Ethylene Glycol SCHEMBL6230203 0.86 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
Ethylene Glycol SCHEMBL6231139 0.86 CA2 (0.56) CA2CAMK2AAKR1B1LMNAGAA
Methane SCHEMBL7998414 0.86 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL28029703 0.86 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA
Alcohol SCHEMBL28296676 0.84 ALDH1A1 (0.55) CA2CAMK2AAKR1B1LMNAGAA
1,3-Propanediol SCHEMBL6343516 0.82 CA2 (0.52) CA2CAMK2AAKR1B1LMNAGAA
Phenylacetic Acid SCHEMBL18139273 0.82 AKR1B1 (0.74) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL5341838 0.79 AKR1B1 (0.47) CA2AKR1B1LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US claimed
EP-1521803-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS The College of William and Mary (US) 2005-04-13 EP claimed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO claimed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US claimed
US-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US disclosed
EP-1521803-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS The College of William and Mary (US) 2005-04-13 EP disclosed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO disclosed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US disclosed