SCHEMBL27716163

SCHEMBL27716163

C=CC(=O)Oc1c(OCC)cc(-c2cccc3c2Cc2ccccc2-3)c(OCC)c1OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 3/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL27716115 0.85 RAB9A (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28167127 0.83 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28033429 0.80 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12701591 0.80 RAB9A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28033427 0.79 PNMT (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27716086 0.77 THRB (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31628069 0.76 RAB9A (0.43) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL23494232 0.75 RAB9A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1331344 0.74 RAB9A (0.44) NPC1RAB9ATHRATHRBKMT2A
SCHEMBL557052 0.74 TSHR (0.36) NPC1TSHRTHRATHRBKMT2A

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
CN-101253454-B Photosensitive composition for volume hologram recording DAICEL CHEM 2010-12-01 CN disclosed
CN-101253454-A Photosensitive composition for volume hologram recording DAICEL CHEM (JP) 2008-08-27 CN disclosed