SCHEMBL9869700

SCHEMBL9869700

C=CCCC(=O)COCC=C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10072312 0.77
SCHEMBL25284929 0.76 MAPT (0.47) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL25231339 0.76 MAPT (0.47) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL2744397 0.76
SCHEMBL11618880 0.76
SCHEMBL11079614 0.76 ABCC4 (0.35) ABCC4MAPTALDH1A1LMNA
SCHEMBL15315163 0.76
SCHEMBL296964 0.75 MAPT (0.46) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL25280416 0.75 LPAR3 (0.44) ABCC4MAPTALDH1A1LMNATDP1
SCHEMBL8775250 0.74

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
WO-1991003449-A1 ISOMERIZATION OF ALK-2-ENYL ETHERS GAF CHEMICALS CORPORATION (US) 1991-03-21 WO disclosed