SCHEMBL4198693

SCHEMBL4198693

CC(=O)OC(OC(C)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MMP12 P39900 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACP3 P15309 2/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
FFAR1 O14842 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
SCHEMBL9939344 0.92 PTGS2 (0.46) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL486678 0.88 ALDH1A1 (0.63) ALDH1A1CYP3A4
SCHEMBL28881766 0.86 ALDH1A1 (0.50) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL28629490 0.86 ALDH1A1 (0.50) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL14798131 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4
SCHEMBL17863579 0.85 ALDH1A1 (0.48) PTGS2ALDH1A1CYP3A4CYP1A2PGR
SCHEMBL27601373 0.84 ALDH1A1 (0.51) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL10521081 0.83 PTGS2 (0.56) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL11126462 0.82 ALDH1A1 (0.54) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL276079 0.80 PTGS2 (0.49) PTGS2ALDH1A1CYP3A4MMP12PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015134923-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2015-09-11 WO disclosed
US-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
CN-1656177-A Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON CATALYTIC CHEM IND (JP) 2005-08-17 CN disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 WO disclosed
EP-0311387-B1 AROMATIC AMINE RESINS, THEIR PRODUCTION PROCESS AND THERMOSETTING RESIN COMPOSITIONS MAKING USE OF THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-11 EP disclosed
EP-0342943-B1 THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5145949-A Production process for making aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1992-09-08 US disclosed
US-5106953-A Reacting aromatic amines with bishalogenomethyl derivatives; curing agents or raw materials for polyamides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed
US-5051494-A A bismaleimide and an amino resin MITSUI TOATSU CHEMICALS, INC. (JP) 1991-09-24 US disclosed
US-4959443-A HIGH STRENGTH, REACTION OF ARALKYL ALCOHOL AND AROMATIC AMINE MITSUI TOATSU CHEMICALS, INC. (JP) 1990-09-25 US disclosed
US-4937318-A Aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-26 US disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP disclosed
US-4163731-A HYDRAULIC FLUIDS CIBA-GEIGY AG (CH) 1979-08-07 US disclosed