SCHEMBL2804686

SCHEMBL2804686

Cc1ccc2c(c1OCCO)-c1c(C)cccc1C2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN8A Q9UQD0 4/20 0.37
RECQL P46063 1/20 0.37
SCN4A P35499 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL2804918 0.90 SCN8A (0.38) ALDH1A1KDM4ESCN8ARECQLSCN4A
SCHEMBL515980 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ESCN8ARECQLSCN4A
SCHEMBL577259 0.70 SCN8A (0.36) ALDH1A1KDM4ESCN8ARECQLL3MBTL1
SCHEMBL12568110 0.70 ALDH1A1 (0.46) ALDH1A1KDM4ESCN8ARECQLL3MBTL1
SCHEMBL10629757 0.70 ALDH1A1 (0.49) ALDH1A1KDM4ESCN8ARECQLSCN4A
SCHEMBL28298076 0.68 ALDH1A1 (0.50) ALDH1A1KDM4ESCN8ARECQLL3MBTL1
SCHEMBL8416167 0.68 MYC (0.42) ALDH1A1KMT2ALMNACYP1A2CYP3A4
SCHEMBL26625639 0.66 ALDH1A1 (0.49) ALDH1A1KDM4ESCN8ARECQLSCN4A
SCHEMBL8301647 0.66 KDM4E (0.61) ALDH1A1KDM4ESCN8ARECQLSCN4A
SCHEMBL13951454 0.66 ALDH1A1 (0.58) ALDH1A1KDM4ERECQLL3MBTL1KMT2A

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
EP-2180014-B1 Method for producing thermoplastic resin, polyester resin and polycarbonate resin, and their applications MITSUBISHI GAS CHEMICAL CO (JP) 2011-12-14 EP disclosed
EP-2180014-A1 Method for producing thermoplastic resin, polyester resin and polycarbonate resin, and their applications MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-04-28 EP disclosed