SCHEMBL28934845

SCHEMBL28934845

O=Cc1ccc(C(=O)OCCOCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
SERPINE1 P05121 1/20 0.44
CYP3A4 P08684 2/20 0.41
ABCB11 O95342 1/20 0.41
ADRA2B P18089 1/20 0.41
OPRD1 P41143 1/20 0.41
SCN5A Q14524 1/20 0.41
TSHR P16473 4/20 0.40
ESR1 P03372 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
ESR2 Q92731 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL17466193 1.00 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3SERPINE1
SCHEMBL23928034 0.93 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3SERPINE1
SCHEMBL19218159 0.93 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3SERPINE1
SCHEMBL23928035 0.93 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3SERPINE1
SCHEMBL1643966 0.90 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3CYP3A4
SCHEMBL17466188 0.89 ALDH1A1 (0.43) ALDH1A1ADRB2ADRB1ADRB3PARP10
SCHEMBL674457 0.88 SERPINE1 (0.53) ALDH1A1SERPINE1CYP3A4ABCB11ADRA2B
SCHEMBL19219007 0.88 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1ADRB3SERPINE1
SCHEMBL3841164 0.88 SERPINE1 (0.53) ALDH1A1SERPINE1CYP3A4ABCB11ADRA2B
SCHEMBL10383286 0.88 SERPINE1 (0.53) ALDH1A1SERPINE1CYP3A4ABCB11ADRA2B

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-114134594-B Colored polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2024-06-28 CN disclosed
CN-114134594-A Colored polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2022-03-04 CN disclosed
CN-114108128-A High-density differential polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2022-03-01 CN disclosed
CN-114108120-A Melt direct-spinning porous superfine polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2022-03-01 CN disclosed