SCHEMBL2838371

SCHEMBL2838371

COc1cccc2c1OCC2C(=O)C1COc2c(OC)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
TERT O14746 1/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL20480675 0.89 PSMB5 (0.47) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL20480316 0.88 PSMB5 (0.48) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL1154206 0.80 POLL (0.45) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL206696 0.78 PSMB5 (0.51) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL1844865 0.77 HTR1A (0.48) KDM4EALDH1A1TERTLMNAHPGD
SCHEMBL10716806 0.75 KDM4E (0.44) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL2835547 0.74 GAA (0.37) PSMB5KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL30441082 0.73 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20480425 0.73 GHSR (0.39) PSMB5SMN1; SMN2ALDH1A1GAACYP3A4
SCHEMBL20480264 0.72 CYP19A1 (0.45) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed