SCHEMBL28249302

SCHEMBL28249302

C=COC(=O)CC.C=COC(C)=O.C=Cc1ccccc1C=C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
CYP3A4 P08684 1/20 0.33
ELANE P08246 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PLIN1 O60240 1/20 0.31
POLB P06746 1/20 0.31
PLIN5 Q00G26 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
NFE2L2 Q16236 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL28273783 0.94 CYP3A4 (0.37) KDM4ECYP3A4ELANEPKMSMN1; SMN2
SCHEMBL27995843 0.88 ALDH1A1 (0.39) KDM4ECYP3A4ALDH1A1MEN1KMT2A
Styrene SCHEMBL7747013 0.86 ALDH1A1 (0.42) KDM4EELANEPKMSMN1; SMN2ALDH1A1
SCHEMBL28249301 0.84 TAS1R3 (0.38) KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL5045890 0.83 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL28320915 0.82 ELANE (0.41) CYP3A4ELANEPKMSMN1; SMN2ALDH1A1
Styrene SCHEMBL27675379 0.81 ALDH1A1 (0.47) KDM4EPTGS2ALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL28169086 0.81 KDM4E (0.36) KDM4ECYP3A4ELANEPKMPTGS2
SCHEMBL8016152 0.80 CYP3A4 (0.39) CYP3A4PKMSMN1; SMN2ALDH1A1MEN1
Styrene SCHEMBL28044575 0.79 ALDH1A1 (0.48) KDM4ECYP3A4ELANEPKMSMN1; SMN2

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-108603332-A Fibre finish, the manufacturing method of fiber process product and fiber process product 昭和电工株式会社 2018-09-28 CN disclosed