SCHEMBL28147663

SCHEMBL28147663

O=S(=O)(O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PGAM1 P18669 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CHAT P28329 1/20 0.36
SNCA P37840 1/20 0.36
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.35
ALOX5 P09917 1/20 0.35
HNF4A P41235 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL13726094 0.92 TSHR (0.47) TSHRSMN1; SMN2LMNAPTGS2ALOX5
SCHEMBL2521856 0.87 TSHR (0.39) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL8933866 0.85 CHAT (0.38) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL8909039 0.85 HNF4A (0.43) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL14775387 0.84 GNG2 (0.41) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL28166154 0.84 TSHR (0.36) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
Formaldehyde SCHEMBL14471802 0.81 GNG2 (0.40) TSHRSMN1; SMN2MAPTSNCAHSD17B10
SCHEMBL28019701 0.81 PGAM1 (0.49) TSHRSMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL22666566 0.81 TSHR (0.56) TSHRSMN1; SMN2LMNAPTGS2ALOX5
SCHEMBL22666589 0.81 TSHR (0.56) TSHRSMN1; SMN2LMNAPTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262126-B Preparation method of beta-carotene 厦门金达威维生素有限公司 2021-12-03 CN disclosed
CN-112262126-A Preparation method of beta-carotene 厦门金达威维生素有限公司 2021-01-22 CN disclosed
CN-106675703-A Multifunctional lubrication oil additive 佛山市天顺科技有限公司 2017-05-17 CN disclosed