SCHEMBL9800966

SCHEMBL9800966

C=CCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
TYMP P19971 6/20 0.40
BCHE P06276 1/20 0.38
SSTR5 P35346 2/20 0.37
TACR1 P25103 1/20 0.36
NT5E P21589 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35

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
SCHEMBL11511992 0.93 SSTR5 (0.38) SLC6A2TYMPBCHESSTR5TACR1
SCHEMBL11511596 0.93 SSTR5 (0.38) SLC6A2TYMPBCHESSTR5TACR1
SCHEMBL11513012 0.93 SSTR5 (0.38) SLC6A2TYMPBCHESSTR5TACR1
SCHEMBL16581497 0.90 SSTR1 (0.43) BCHESSTR5TACR1NT5ESSTR1
SCHEMBL7901248 0.90 SSTR1 (0.43) BCHESSTR5TACR1NT5ESSTR1
SCHEMBL7640942 0.90 SLC6A2 (0.43) SLC6A2TYMPSSTR5TACR1NT5E
SCHEMBL7152132 0.90 SLC6A2 (0.43) SLC6A2TYMPSSTR5TACR1NT5E
SCHEMBL9800967 0.89 SSTR1 (0.42) BCHESSTR5TACR1NT5ESSTR1
SCHEMBL22683015 0.86 SLC6A2 (0.47) SLC6A2BCHESSTR5TACR1NT5E
SCHEMBL20139723 0.86 SLC6A2 (0.47) SLC6A2BCHESSTR5TACR1NT5E

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
US-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 US disclosed
US-4818816-A ANTICOAGULANT CHOAY, S.A. (FR) 1989-04-04 US disclosed