SCHEMBL28048746

SCHEMBL28048746

O=C(Oc1cccc2ccccc12)C(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
PGR P06401 1/20 0.57
PTGS1 P23219 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 1/20 0.49
FABP3 P05413 4/20 0.48
FABP7 O15540 3/20 0.48

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
SCHEMBL8664311 0.89 HSD17B10 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL27660507 0.86 ALDH1A1 (0.58) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL10713841 0.84 ALDH1A1 (0.60) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL12256160 0.84 HSD17B10 (0.56) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL10714230 0.84 ALDH1A1 (0.60) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL28171607 0.83 KMT2A (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL8664315 0.83 ALDH1A1 (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
Hydrochloric Acid SCHEMBL27504502 0.82 ALDH1A1 (0.58) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL3362842 0.81 ALDH1A1 (0.61) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL8458747 0.81 ALDH1A1 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104817585-B A kind of naphthalene dioxy acetic acid esters coordination polymer of tri-n-butyl tin 1,6 and its preparation method and application 衡阳师范学院 2017-10-31 CN disclosed
CN-104817585-B A kind of naphthalene dioxy acetic acid esters coordination polymer of tri-n-butyl tin 1,6 and its preparation method and application 衡阳师范学院 2017-10-31 CN disclosed
CN-104817585-B A kind of naphthalene dioxy acetic acid esters coordination polymer of tri-n-butyl tin 1,6 and its preparation method and application 衡阳师范学院 2017-10-31 CN disclosed
CN-104804035-B A kind of naphthalene dioxy acetic acid esters of Tricyclohexyltin 2,7 and its preparation method and application 衡阳师范学院 2017-09-29 CN disclosed
CN-104804035-B A kind of naphthalene dioxy acetic acid esters of Tricyclohexyltin 2,7 and its preparation method and application 衡阳师范学院 2017-09-29 CN disclosed
CN-105198920-A Bis[tris(2-methyl-2-phenyl)propyltin]2,7-naphthalene dioxyacetate as well as preparation method and application thereof UNIV HENGYANG NORMAL 2015-12-30 CN disclosed