SCHEMBL28822241

SCHEMBL28822241

CC=C1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40
GABRQ Q9UN88 3/20 0.40
GABRR1 P24046 1/20 0.39
TSHR P16473 2/20 0.39
PMP22 Q01453 1/20 0.39
LMNA P02545 3/20 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
SCHEMBL12968303 0.92 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13279903 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7095734 0.79 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7080330 0.77 TSHR (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12820067 0.77 CHRNB2 (0.37) TSHRLMNANPC1RAB9AMEN1
SCHEMBL17519894 0.76
SCHEMBL28119613 0.76 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10636223 0.74 ESR2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL850840 0.74 GAA (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17731339 0.74 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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
CN-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 CN disclosed