SCHEMBL6330393

SCHEMBL6330393

C=C(C)C(=O)Oc1c(OCC)c(OCC)c(C2(c3c(OCC)c(OCC)c(OC(=O)C(=C)C)c(OCC)c3OCC)c3ccccc3-c3ccccc32)c(OCC)c1OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
PDK2 Q15119 6/20 0.34
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MPI P34949 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
IDO1 P14902 1/20 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
SCHEMBL6322648 0.93 ELANE (0.33) ELANEPDK2ALDH1A1MAPTHPGD
SCHEMBL6324392 0.92 ELANE (0.32) ELANEPDK2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6330760 0.90 PDK2 (0.36) ELANEPDK2ALDH1A1KMT2A
SCHEMBL6325333 0.90 ELANE (0.31) ELANEPDK2
SCHEMBL6324996 0.89 ELANE (0.30) ELANE
SCHEMBL6331102 0.87 RXRA (0.30)
SCHEMBL7074634 0.86
SCHEMBL6330263 0.84 PDK2 (0.34) ELANEPDK2
SCHEMBL2866535 0.83 TSHR (0.36) ELANEPDK2ALDH1A1MAPTHPGD
SCHEMBL6328823 0.83 ELANE (0.38) ELANEPDK2ALDH1A1MAPTGAA

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-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