SCHEMBL9730910

SCHEMBL9730910

CC[C@H](C)Oc1ccc(C(=O)O)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
HCAR3 P49019 12/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
HCAR2 Q8TDS4 2/20 0.50
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
MIF P14174 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL841924 0.83 MAPT (0.62) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL9141569 0.83 MAPT (0.55) MAPTHCAR3L3MBTL1
SCHEMBL9730406 0.83 MAPT (0.55) MAPTHCAR3L3MBTL1
SCHEMBL9145319 0.80 MAPT (0.67) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL796493 0.78 MAPT (1.00) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL841827 0.78 MAPT (0.68) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL15477238 0.77 L3MBTL1 (0.57) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL840140 0.77 MAPT (0.62) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL24774417 0.77 MAPT (0.57) MAPTHCAR3L3MBTL1HCAR2P4HA1
SCHEMBL7560975 0.77 MAPT (0.61) MAPTHCAR3L3MBTL1HCAR2

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-5145601-A Ferroelectric liquid crystals with nicotinic acid cores THE UNIVERSITY OF COLORADO FOUNDATION INC. (US) 1992-09-08 US disclosed