SCHEMBL28360757

SCHEMBL28360757

CCCCc1ccc(C(=O)O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
DHODH Q02127 1/20 0.41
TSHR P16473 1/20 0.41
RARB P10826 4/20 0.41
BID P55957 3/20 0.40

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
SCHEMBL28565323 0.88 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6897145 0.88 BID (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8674376 0.84 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11323683 0.84 RARB (0.49) RARBBIDMCL1BCL2L1BAK1
SCHEMBL4826258 0.83 BID (0.52) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL7550301 0.81 PTPN11 (0.46) TSHRRARBMEN1KMT2ACNR2
SCHEMBL11117955 0.80 GCGR (0.51) RARBBIDMCL1BCL2L1BAK1
SCHEMBL11303166 0.79 GRIA4 (0.43) RARBBIDMCL1BCL2L1BAK1
SCHEMBL28923013 0.79 TYR (0.47) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL29023915 0.78 RARB (0.47) TSHRRARBBIDMCL1BCL2L1

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-107635787-B Laser-markable compositions, materials and documents 爱克发-格法特公司 2020-01-31 CN disclosed