SCHEMBL21177274

SCHEMBL21177274

O=C1OC(=O)c2cc(C(O)CO)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 5/20 0.37
CCL2 P13500 5/20 0.37
ALK Q9UM73 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFKB1 P19838 1/20 0.36
TRIM24 O15164 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CA4 P22748 1/20 0.33
IDO1 P14902 1/20 0.33
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL28789806 0.86 ALOX15 (0.38) ALOX15TDP1ALDH1A1BRD4CCL2
SCHEMBL28101847 0.85 ALDH1A1 (0.37) ALOX15TDP1ALDH1A1SMN1; SMN2CA12
SCHEMBL9405094 0.81 ALOX15 (0.46) ALOX15TDP1ALDH1A1CA12CA1
SCHEMBL22017376 0.81 ALOX15 (0.46) ALOX15TDP1ALDH1A1CA12CA1
SCHEMBL10328403 0.78 UGT2B7 (0.46) ALOX15TDP1ALDH1A1BRD4CA12
SCHEMBL28474872 0.74 ALOX15 (0.39) ALOX15TDP1ALDH1A1CA12CA1
SCHEMBL4555544 0.74 TSHR (0.37) TSHRALOX15TDP1ALDH1A1
SCHEMBL11436231 0.73 LMNA (0.52) CYP3A4ALOX15TDP1ALDH1A1SMN1; SMN2
SCHEMBL433935 0.73 ALDH1A1 (0.48) TSHRALOX15TDP1ALDH1A1CA12
SCHEMBL28074442 0.73 ALOX15 (0.46) TSHRALOX15TDP1ALDH1A1CA12

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-106519149-A Environment-friendly type solvent-free impregnating resin and preparing method thereof 苏州太湖电工新材料股份有限公司 2017-03-22 CN claimed
EP-3740522-A1 POLYESTER-POLYOL COMPOSITIONS FOR POLYURETHANE FOAM WITH IMPROVED HYDROLYTIC STABILITY Hexion Research Belgium SA (BE) 2020-11-25 EP disclosed
US-20200339734-A1 POLYESTER-POLYOL COMPOSITIONS FOR POLYURETHANE FOAM WITH IMPROVED HYDROLYTIC STABILITY ROYAL BANK OF CANADA, AS ADMINISTRATIVE AGENT (CA) 2020-10-29 US disclosed
WO-2019141507-A1 POLYESTER-POLYOL COMPOSITIONS FOR POLYURETHANE FOAM WITH IMPROVED HYDROLYTIC STABILITY HEXION RESEARCH BELGIUM SA (BE) 2019-07-25 WO disclosed