SCHEMBL12723973

SCHEMBL12723973

O=C(O)CCSC(=O)SCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
LMNA P02545 5/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP1A2 P05177 1/20 0.56
EGLN1 Q9GZT9 2/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.42
APEX1 P27695 3/20 0.41
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP2C19 P33261 1/20 0.38
BHMT Q93088 1/20 0.37

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
SCHEMBL15782599 0.81
SCHEMBL28386510 0.80 GPR84 (0.56) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL20220358 0.79 TSHR (0.58) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL12702660 0.78 CYP1A2 (0.39) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL8740453 0.78
SCHEMBL4455772 0.77 CYP1A2 (0.65) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL20220301 0.77 TSHR (0.55) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL668605 0.77
SCHEMBL8418556 0.77
SCHEMBL10571679 0.77

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-8912273-B2 Process for the preparation of an aqueous polymer dispersion BASF SE (DE) 2014-12-16 US disclosed
EP-2291413-B1 METHOD FOR PREPARING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2012-11-14 EP disclosed
US-20110092635-A1 PROCESS FOR THE PREPARATION OF AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2011-04-21 US disclosed
WO-2009153162-A1 METHOD FOR PREPARING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2009-12-23 WO disclosed