SCHEMBL13857173

SCHEMBL13857173

OCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
PDE4D Q08499 1/20 0.40
LGALS3 P17931 3/20 0.40
LGALS9 O00182 2/20 0.40
LGALS1 P09382 2/20 0.40
LGALS8 O00214 1/20 0.40
LGALS2 P05162 1/20 0.40
LGALS4 P56470 1/20 0.40
LGALS7; LGALS7B P47929 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TACR2 P21452 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA5B Q9Y2D0 3/20 0.38

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
SCHEMBL20759687 1.00 SLC6A2 (0.45) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL20759821 0.91 SLC6A2 (0.44) SLC6A2LGALS3LGALS9LGALS1LGALS8
SCHEMBL5689179 0.90 SLC6A2 (0.50) SLC6A2LGALS3LGALS9LGALS1LGALS8
SCHEMBL13498636 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL20169071 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL8335055 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL15422703 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL3489622 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL15652660 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1
SCHEMBL5688674 0.90 TACR2 (0.42) SLC6A2PDE4DLGALS3LGALS9LGALS1

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-7531181-B2 Gp120 specific antigens and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-05-12 US disclosed