SCHEMBL7792902

SCHEMBL7792902

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 6/20 0.44
LMNA P02545 3/20 0.44
GPR55 Q9Y2T6 1/20 0.43
GMNN O75496 1/20 0.42
GABBR2 O75899 1/20 0.42
TP53 P04637 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
SCHEMBL38555 0.88 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRMEN1MAPK1
Ammonia Solution, Strong SCHEMBL3948778 0.87 ALDH1A1 (0.52) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL7792782 0.86 HMGB1 (0.38) ALDH1A1TSHRCYP1A2BLMHIF1A
SCHEMBL7786499 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRMEN1MAPK1
Ethylene SCHEMBL3947796 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRMEN1MAPK1
Ethylene SCHEMBL3949822 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL7796445 0.85 GAA (0.55) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL7792633 0.85 HSPA5 (0.43) ALDH1A1TSHRCYP1A2BLMHIF1A
Ethylene Glycol SCHEMBL206250 0.83 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRMEN1MAPK1
Octane SCHEMBL28875045 0.83 THRA (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed