SCHEMBL28898948

SCHEMBL28898948

CC(C)(C)OC(=O)CCCCCCl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
HDAC8 Q9BY41 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
DGKA P23743 1/20 0.36
FAAH O00519 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.34
PAM P19021 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4576643 0.98 EPHX2 (0.41) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL417782 0.91 EPHX2 (0.39) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL18804573 0.91 EPHX2 (0.39) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL18804554 0.91 EPHX2 (0.39) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL25920499 0.89 EPHX2 (0.38) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL18804567 0.89 EPHX2 (0.38) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL18788286 0.89 EPHX2 (0.38) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL14482131 0.89 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL2380206 0.89 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL14482719 0.89 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6

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-115073296-B Method and device for rapidly detecting propylene glycol in food 深圳市易瑞生物技术股份有限公司 2022-11-01 CN claimed