SCHEMBL28292554

SCHEMBL28292554

CCCCc1coc(C(=O)O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
RARB P10826 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
PPARA Q07869 3/20 0.36

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
SCHEMBL5599077 0.86 SMN1; SMN2 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
Phosphine SCHEMBL28291068 0.84 BID (0.43) RARBBIDMCL1PPARABCL2L1
SCHEMBL12477522 0.81 BID (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28994451 0.77 BID (0.49) BIDMCL1PPARABCL2L1BAK1
SCHEMBL28993973 0.75 BID (0.51) BIDMCL1PPARABCL2L1BAK1
SCHEMBL898044 0.73 MEN1 (0.42) RARBALDH1A1HPGDMEN1LMNA
SCHEMBL11575458 0.72 KMT2A (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28927805 0.72 PTPN1 (0.30) KMT2A
SCHEMBL27811264 0.71 BID (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19020043 0.71 CYP1A2 (0.39) 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-109569196-A A kind of sulfur dioxide gas absorbent 刘紫岩 2019-04-05 CN disclosed