SCHEMBL11566151

SCHEMBL11566151

CN(CCc1ccccc1)c1ccc(C(=O)O)cn1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.69
PKM P14618 1/20 0.60
RXRA P19793 4/20 0.47
HDAC1 Q13547 1/20 0.46
AOC3 Q16853 1/20 0.43
MLYCD O95822 1/20 0.43
LDHA P00338 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
USP30 Q70CQ3 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
P4HA1 P13674 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11563144 0.92 HCAR3 (0.66) HCAR3PKMRXRAHDAC1AOC3
SCHEMBL11564059 0.91 HCAR3 (0.64) HCAR3PKMRXRAHDAC1
SCHEMBL11564719 0.89 HCAR3 (0.63) HCAR3PKMRXRA
SCHEMBL11564881 0.89 HCAR3 (0.66) HCAR3PKMRXRAAOC3RXRB
SCHEMBL11565525 0.85 HCAR3 (0.61) HCAR3PKMRXRAHDAC1AOC3
SCHEMBL11565320 0.85 HCAR3 (0.64) HCAR3PKMRXRAHDAC1LDHA
SCHEMBL11564788 0.79 PKM (0.62) HCAR3PKMAOC3POLBTAAR1
SCHEMBL1906313 0.79 HCAR3 (0.77) HCAR3RXRAAOC3LDHARXRB
SCHEMBL24422211 0.78 HCAR3 (0.71) HCAR3P4HA1P4HTMMAPT
SCHEMBL6257695 0.78 PTGER1 (0.50) HCAR3RXRA

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
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 EP disclosed