SCHEMBL4637754

SCHEMBL4637754

CC1(C)OCC(CCc2ccccc2)O1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2075913 1.00 TMEM97 (0.51) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12201661 0.90 TMEM97 (0.49) TMEM97SIGMAR1TAAR1MEN1KMT2A
SCHEMBL28773466 0.84 TMEM97 (0.38) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11105943 0.83 TMEM97 (0.56) TMEM97SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8479576 0.82 SLC6A2 (0.52) TMEM97SIGMAR1SLC6A2SLC6A4CYP3A4
SCHEMBL7834371 0.82 SLC6A2 (0.52) TMEM97SIGMAR1SLC6A2SLC6A4CYP3A4
SCHEMBL7834832 0.82 SLC6A2 (0.52) TMEM97SIGMAR1SLC6A2SLC6A4CYP3A4
SCHEMBL4191243 0.80 TMEM97 (0.46) TMEM97SIGMAR1TAAR1MEN1KMT2A
SCHEMBL3232098 0.80 TMEM97 (0.46) TMEM97SIGMAR1CYP3A4MEN1KMT2A
SCHEMBL12163921 0.80 TMEM97 (0.38) TMEM97SIGMAR1CYP3A4MEN1KMT2A

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-1891005-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2008-02-27 EP disclosed
WO-2006112742-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2α DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2006-10-26 WO disclosed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP disclosed