SCHEMBL6324549

SCHEMBL6324549

C=C(C)C(=O)Oc1c(OCCC)cc(C2(c3cc(OCCC)c(OC(=O)C(=C)C)c(C)c3OCCC)c3ccccc3-c3ccccc32)c(OCCC)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
FFAR4 Q5NUL3 2/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 4/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PTGER1 P34995 1/20 0.32
MDM2 Q00987 1/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
TNF P01375 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6323519 0.92 PDK2 (0.36) PDK2FFAR4CNR2ALDH1A1SMN1; SMN2
SCHEMBL6324942 0.89 MAPT (0.38) PDK2ALDH1A1TP53LMNAGAA
SCHEMBL6324793 0.89 PDK2 (0.34) PDK2FFAR4ALDH1A1SMN1; SMN2PTGER1
SCHEMBL6324382 0.88 PDK2 (0.34) PDK2FFAR4PTGER1MDM2TNF
SCHEMBL6330263 0.83 PDK2 (0.34) PDK2ELANE
SCHEMBL6320914 0.81 PDK2 (0.36) PDK2CNR2ALDH1A1SMN1; SMN2PTGER1
SCHEMBL7072257 0.81 PDK2 (0.34) PDK2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL2866535 0.81 TSHR (0.36) PDK2ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL6330760 0.80 PDK2 (0.36) PDK2ALDH1A1PTGER1ELANE
SCHEMBL4125740 0.79 PDK2 (0.36) PDK2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US disclosed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US disclosed
US-20050185232-A1 Volume hologram recording photosensitive composition and its use NIPPON PAINT CO., LTD. (JP) 2005-08-25 US disclosed
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed