SCHEMBL14019708

SCHEMBL14019708

C=C(C(=O)Oc1cc(Br)c(OC(=O)C(=C)C23CC2CC(C(=O)Oc2ccccc2)(C(=O)Oc2ccccc2)C3)cc1Br)C12CC1CC(C(=O)Oc1ccccc1)(C(=O)Oc1ccccc1)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
ADAM17 P78536 2/20 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
SCHEMBL14019698 0.78 ADAM17 (0.39) GAAMAPTADAM17
SCHEMBL14019707 0.74 ELANE (0.38) KDM4EGAAMAPT
SCHEMBL14019705 0.71 FAAH (0.34)
SCHEMBL14019706 0.70 NR3C1 (0.31)
SCHEMBL14339985 0.69 CNR2 (0.32) MAPT
SCHEMBL13688370 0.68 ALDH1A1 (0.38) KDM4EGAA
SCHEMBL13688377 0.67 RIPK1 (0.39) KDM4EGAAMAPT
SCHEMBL13688354 0.66 ALDH1A1 (0.43) KDM4EGAA
SCHEMBL13108977 0.65 TUBB4A (0.31)
SCHEMBL13001800 0.65 ALDH1A1 (0.31)

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-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed