SCHEMBL14416410

SCHEMBL14416410

CCCCCc1ccc(C(=O)OC2CCC(CCCCC)CC2)c(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
CNR2 P34972 8/20 0.36
METAP2 P50579 1/20 0.34
CNR1 P21554 5/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL9457296 0.91 NAAA (0.38) NAAACNR2CNR1ALDH1A1HTT
SCHEMBL9457291 0.91 NAAA (0.38) NAAACNR2CNR1ALDH1A1HTT
SCHEMBL9406315 0.86 NAAA (0.37) NAAACNR2ALDH1A1HTTSCN1A
SCHEMBL9406319 0.86 NAAA (0.37) NAAACNR2ALDH1A1HTTSCN1A
SCHEMBL9406422 0.84 NAAA (0.40) NAAAALDH1A1HTTSCN1ASCN2A
SCHEMBL9406430 0.84 NAAA (0.40) NAAAALDH1A1HTTSCN1ASCN2A
SCHEMBL12737590 0.81 CYP2C9 (0.34) NAAACNR2CNR1ALDH1A1HTT
SCHEMBL12741052 0.81 CYP2C9 (0.34) NAAACNR2CNR1ALDH1A1HTT
SCHEMBL10020111 0.80 NAAA (0.35) NAAAALDH1A1HTT
SCHEMBL13025865 0.80 NAAA (0.33) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265882-B2 Switchable polymer-dispersed liquid crystal optical elements SCIENCE APPLICATIONS INTERNATIONAL CORPORATION (US) 2007-09-04 US disclosed