SCHEMBL8874669

SCHEMBL8874669

O=C(O)C1=CCC2CC(C(=O)O)=CC2=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.39
TSHR P16473 3/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
LMNA P02545 2/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL1286825 0.68 TSHR (0.40) GABRR1TSHRGABRPGABRDGABRA1
SCHEMBL6974943 0.67 GABRR1 (0.31) GABRR1
SCHEMBL8959305 0.64 CCR2 (0.34)
SCHEMBL1353356 0.63 TSHR (0.42) GABRR1TSHRGABRPGABRDGABRA1
SCHEMBL6661057 0.63
Hydrochloric Acid SCHEMBL18320900 0.62 LMNA (0.33) GABRR1TSHRGABRPGABRDGABRA1
SCHEMBL15088575 0.62 CCR2 (0.36) GABRR1TSHRLMNACES2
SCHEMBL21294112 0.62 GABRR1 (0.31) GABRR1
SCHEMBL28189342 0.61 L3MBTL1 (0.32)
SCHEMBL325503 0.61

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-5698577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US disclosed