SCHEMBL28675711

SCHEMBL28675711

O=C(O)CC(=Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
MME P08473 2/20 0.41
AKR1C3 P42330 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PAM P19021 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 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
SCHEMBL9836875 0.84 RECQL (0.50) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL5478004 0.83 AKR1C3 (0.41) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL913491 0.79 MEN1 (0.44) RECQLAKR1C3MEN1KMT2AALDH1A1
SCHEMBL11015943 0.79 CYP3A4 (0.42) RECQLAKR1C3CYP3A4CYP2C9AKR1C1
SCHEMBL5885449 0.79 MEN1 (0.36) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL8469330 0.78 MEN1 (0.36) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL7178451 0.78 FBP1 (0.38) RECQLAKR1C3CYP3A4CYP2C9AKR1C1
Vinyl Chloride SCHEMBL11162745 0.76 RECQL (0.34) RECQLMMEAKR1C3CYP3A4CYP2C9
SCHEMBL28388127 0.76 GLO1 (0.47) AKR1C3MEN1KMT2AALDH1A1KDM4E
SCHEMBL6543446 0.76 CMA1 (0.44) RECQLAKR1C3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880999-A Adhesive and preparation method and application thereof 惠州亿纬锂能股份有限公司 2022-01-04 CN disclosed