SCHEMBL7705322

SCHEMBL7705322

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 3/20 0.49
GABBR2 O75899 2/20 0.49
GABBR1 Q9UBS5 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL29281277 0.83 KMT2A (0.51) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL5710193 0.83 ALDH1A1 (0.54) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL28371810 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL10706899 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL20261733 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL1403736 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL7039937 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL8954866 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL11771104 0.79 KMT2A (0.48) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL28065735 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476183-B2 STABLE ALKYD RESIN BASED COATING QUICK-SETTING AT LOW TEMPERATURES, AND LONG SHELF LIFE FOR ONE-POT SYSTEMS AKZO NOBEL N.V. (NL) 2002-11-05 US disclosed
US-20010008932-A1 Coating composition comprising an oxidatively drying polyunsaturated condensation product, a polythiol, and a siccative AKZO NOBEL N.V. (NL) 2001-07-19 US disclosed