SCHEMBL28293315

SCHEMBL28293315

O=C1CCC(c2ccccc2)=C1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
PTGS2 P35354 11/20 0.46
PTGS1 P23219 10/20 0.46
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL978197 0.77 PTGS2 (0.68) CFTRGOPCPTGS2PTGS1KMT2A
SCHEMBL5395859 0.76 CFTR (0.48) CFTRGOPCPTGS2PTGS1HTT
SCHEMBL8900922 0.74 CFTR (0.46) CFTRGOPCPTGS2PTGS1HTT
SCHEMBL5413521 0.74 CFTR (0.46) CFTRGOPCPTGS2PTGS1HTT
SCHEMBL31678688 0.74 PTGS2 (0.50) CFTRGOPCPTGS2PTGS1HTT
SCHEMBL7212942 0.72 ALDH1A1 (0.53) CFTRGOPCPTGS2PTGS1HTT
SCHEMBL6632882 0.72 PTGS2 (0.62) CFTRGOPCPTGS2PTGS1KMT2A
SCHEMBL7577906 0.68 PTGS2 (0.61) CFTRGOPCPTGS2PTGS1ALDH1A1
SCHEMBL979579 0.65 PTGS2 (0.54) CFTRGOPCPTGS2PTGS1HTT
Biphenyl SCHEMBL15657385 0.65 ALDH1A1 (0.60) CFTRGOPCHTTKMT2AMAPT

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-109776620-A A kind of metallocene complex and its preparation and application 上海东化环境工程有限公司 2019-05-21 CN disclosed