SCHEMBL7794894

SCHEMBL7794894

C=C(C)COC(CCCCC)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MGLL Q99685 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 4/20 0.37
MMP3 P08254 2/20 0.37
HRH3 Q9Y5N1 6/20 0.36
HRH2 P25021 5/20 0.36
HRH1 P35367 5/20 0.36

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
SCHEMBL8995717 0.82 MGLL (0.42) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL17274266 0.81 MGLL (0.47) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL13821490 0.77 ALDH1A1 (0.50) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL8603370 0.77 MGLL (0.42) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6827588 0.77 MGLL (0.47) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116693 0.76 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116694 0.76 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116633 0.76 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6250338 0.76 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL28703168 0.75 TSHR (0.50) TSHRHSD17B10ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669548-B1 Optical element and process for producing the same FUJI XEROX CO LTD (JP) 2001-12-12 EP disclosed
US-5691092-A FORMING LIQUID CRYSTALLINE POLYMER ON SUBSTRATE; PROTECTIVE LAYER; HEATING; CROSSLINKING FUJI XEROX CO., LTD. (JP) 1997-11-25 US disclosed
US-5670083-A CROSSLINKED LIQUID CRYSTAL POLYMER FUJI XEROX CO., LTD. (JP) 1997-09-23 US disclosed
EP-0669548-A1 Optical element and process for producing the same FUJI XEROX CO., LTD. (JP) 1995-08-30 EP disclosed