SCHEMBL14619583

SCHEMBL14619583

CCCC(C)(Oc1cccc2ccccc12)POc1c(C(C)(C)C)cc(C(C)(C)C)c(C)c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1Op1oc2ccccc2c2ccccc2o1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL14544191 0.85 HTR1B (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL14452714 0.84 KDM4E (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL13627008 0.79
SCHEMBL22071242 0.72 KDM4E (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL13627003 0.71 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10
SCHEMBL14544097 0.70 RXRA (0.35) KDM4EALDH1A1HSD17B10
SCHEMBL15085726 0.69
SCHEMBL9685233 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22071246 0.65 KDM4E (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL7206268 0.64 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10

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
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed