SCHEMBL2835552

SCHEMBL2835552

CCN(CC)c1cccc2c1OCC2C(=O)C=Cc1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
PTGS2 P35354 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL2836351 0.78 ALDH1A1 (0.47) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL2834422 0.77 ACHE (0.45) PTGS2KDM4EMEN1LMNAMAPT
SCHEMBL2835472 0.76 NPC1 (0.40) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL2835670 0.72 MEN1 (0.40) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL2834091 0.71 HDAC3 (0.43) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL2830167 0.70 MEN1 (0.35) MEN1KMT2A
SCHEMBL2831495 0.70 HPGD (0.35) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL2838798 0.66 GAA (0.40) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL23260254 0.65 KMT2A (0.42) HTR1APTGS2KDM4EMAPTKMT2A
SCHEMBL11370415 0.65 CTSL (0.40) PTGS2MEN1LMNAMAPTKMT2A

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