SCHEMBL4196103

SCHEMBL4196103

C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
TSHR P16473 4/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GABBR2 O75899 2/20 0.47
GABBR1 Q9UBS5 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 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
SCHEMBL2674900 0.92 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMEN1LMNA
Ethane SCHEMBL17005815 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
Formaldehyde SCHEMBL8588342 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
Methane SCHEMBL190573 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
Ethane SCHEMBL8447569 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
Methane SCHEMBL1234522 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL3956058 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL4815659 0.84 CYP1A2 (0.46) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL9064850 0.83 KMT2A (0.40) ALDH1A1KMT2ATSHRMEN1LMNA
Phenol SCHEMBL18043954 0.83 GAA (0.48) ALDH1A1KMT2ATSHRMEN1LMNA

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
CN-108394398-B Automobile plastic vacuum tank and preparation process thereof 芜湖捷欧汽车部件有限公司 2021-02-02 CN disclosed
US-20090011964-A1 Lubricants Containing Multifunctional Additive Packages Therein for Improving Load-Carrying Capacity, Increasing Surface Fatigue Life and Reducing Friction UNITED TECHNOLOGIES CORPORATION 2009-01-08 US disclosed
EP-1814968-A2 LUBRICANTS CONTAINING MULTIFUNCTIONAL ADDITIVE PACKAGES THEREIN FOR IMPROVING LOAD-CARRYING CAPACITY, INCREASING SURFACE FATIGUE LIFE AND REDUCING FRICTION Pratt & Whitney (US) 2007-08-08 EP disclosed
WO-2006137928-A2 LUBRICANTS CONTAINING MULTIFUNCTIONAL ADDITIVE PACKAGES THEREIN FOR IMPROVING LOAD-CARRYING CAPACITY, INCREASING SURFACE FATIGUE LIFE AND REDUCING FRICTION UNITED TECHNOLOGIES CORPORATION (US) 2006-12-28 WO disclosed