SCHEMBL5832056

SCHEMBL5832056

COC(C)(CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.43
CES1 P23141 1/20 0.41
CYP2C19 P33261 2/20 0.41
KCNN4 O15554 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
SLC6A2 P23975 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7535477 0.83 ALDH1A1 (0.42) ALDH1A1ALOX15MAPK1CES1CYP2C19
SCHEMBL1262257 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19KCNN4
SCHEMBL27412320 0.81 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19KCNN4
SCHEMBL8314455 0.80 MAPK1 (0.44) ALDH1A1ALOX15MAPK1CES1CYP2C19
SCHEMBL1774346 0.80 MAPK1 (0.44) ALDH1A1ALOX15MAPK1CES1CYP2C19
SCHEMBL16585378 0.79 KMT2A (0.39) ALDH1A1MAPK1CYP2C19KCNN4TAAR1
SCHEMBL16885460 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1ESR1ESR2CYP3A4
SCHEMBL8251538 0.79 LMNA (0.39) CYP2C19TAAR1CYP3A4CYP2C9
SCHEMBL487150 0.78 MAPK1 (0.43) ALDH1A1ALOX15MAPK1CES1CYP2C19
SCHEMBL28237952 0.78 MAPK1 (0.43) ALDH1A1ALOX15MAPK1CES1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012697-A1 METHOD OF PRODUCING A METAL PHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING A PHTHALOCYANINE COMPOUND AND AN ANALOGUE THEREOF FUJIFILM CORPORATION (JP) 2013-01-10 US disclosed
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
EP-0008796-B1 POLYPHOSPHAZENE POLYMERS CONTAINING ALKOXY SUBSTITUENTS CONTAINING A FULLY SUBSTITUTED CARBON IN THE BETA POSITION AND PROCESS FOR THEIR PREPARATION THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-03-24 EP disclosed
US-4264759-A Polyphosphazene polymers containing alkoxy substitutents containing a fully substituted carbon in the beta position THE FIRESTONE TIRE & RUBBER COMPANY (US) 1981-04-28 US disclosed
EP-0008796-A1 Polyphosphazene polymers containing alkoxy substituents containing a fully substituted carbon in the beta position and process for their preparation THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-03-19 EP disclosed