SCHEMBL2222686

SCHEMBL2222686

O=C(O)c1ccc(C=C(O)C(CO)(COCC(CO)(CO)CO)C(O)=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.35
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
RARA P10276 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
FBP1 P09467 1/20 0.32
RXRA P19793 1/20 0.32
NPC1 O15118 1/20 0.32
STAT1 P42224 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL28085120 0.87 ALDH1A1 (0.41) ALDH1A1TDP1GLAPOLBL3MBTL1
SCHEMBL2222005 0.83 ALDH1A1 (0.50) ALDH1A1TDP1GLAPOLBL3MBTL1
Terephthalic Acid SCHEMBL11490237 0.82 TSHR (0.50) ALDH1A1KMT2ATP53TSHRSMN1; SMN2
Paraben SCHEMBL11483686 0.76 CA2 (0.57) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL28085114 0.75 ALDH1A1 (0.52) ALDH1A1TDP1GLAPOLBL3MBTL1
Benzoic Acid SCHEMBL9563653 0.75 TSHR (0.54) ALDH1A1TDP1KMT2ALMNATP53
Benzoic Acid SCHEMBL8432319 0.75 TSHR (0.54) ALDH1A1TDP1KMT2ALMNATP53
4-Methylbenzoic Acid SCHEMBL11482547 0.74 ALDH1A1 (0.59) ALDH1A1TDP1KMT2ALMNATP53
Isophthalic Acid SCHEMBL11490528 0.69 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDNPSR1
SCHEMBL31553167 0.69 PKM (0.49) ALDH1A1POLBL3MBTL1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962721-B2 Nucleating agents for polyolefins based on acetal compounds RELIANCE INDUSTRIES LIMITED (IN) 2015-02-24 US claimed
US-20130116366-A1 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS RELIANCE INDUSTRIES LIMITED (IN) 2013-05-09 US claimed
EP-2524000-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS Reliance Industries Limited (IN) 2012-11-21 EP claimed
WO-2011086583-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS RELIANCE INDUSTRIES LIMITED (IN) 2011-07-21 WO claimed
CN-102712787-B Based on acetal compound for polyolefinic nucleator 瑞来斯实业公司 2016-08-17 CN disclosed
EP-2524000-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS Reliance Industries Limited (IN) 2012-11-21 EP disclosed
CN-102712787-A Novel nucleating agents for polyolefins based on acetal compounds RELIANCE IND LTD 2012-10-03 CN disclosed
WO-2011086583-A2 NOVEL NUCLEATING AGENTS FOR POLYOLEFINS BASED ON ACETAL COMPOUNDS RELIANCE INDUSTRIES LIMITED (IN) 2011-07-21 WO disclosed