SCHEMBL28856594

SCHEMBL28856594

C=CCc1c([SH](=O)=O)ccc(OC(=O)c2ccccc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SRD5A1 P18405 1/20 0.51
▸ PRSS1 P07477 1/20 0.39
▸ ACR P10323 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TOP1 P11387 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL28201610 0.85 KMT2A (0.57) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL28248429 0.83 PTGS1 (0.50) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL28258199 0.81 KMT2A (0.54) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL31518876 0.73 KMT2A (0.84) KMT2AMEN1CYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL31089296 0.72 MEN1 (1.00) KMT2AMEN1CYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL357066 0.72 MEN1 (1.00) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL4284968 0.70 KMT2A (0.62) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL4284963 0.70 KMT2A (0.58) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL31112624 0.70 KMT2A (0.58) KMT2AMEN1CYP3A4TDP1L3MBTL1
SCHEMBL31518889 0.70 KMT2A (0.65) KMT2AMEN1CYP3A4TDP1L3MBTL1

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-107614567-A EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF 日本化药株式会社 2018-01-19 — — CN disclosed
Send feedback