SCHEMBL5701035

SCHEMBL5701035

CCCCCCCCc1nc(C(=O)O)c(CCCCCCCC)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
SCD O00767 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
RARB P10826 5/20 0.42

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
SCHEMBL27260998 0.79 HCAR2 (0.41) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL3916646 0.78 RARB (0.43) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL8624574 0.78 RARB (0.43) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL3604705 0.78 RARB (0.43) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL27640070 0.76 GABRP (0.44) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL1082565 0.76 HCAR2 (0.41) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL4998339 0.73 DPP4 (0.43) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL9644203 0.72 GPR35 (0.47) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL24486059 0.72 GPR84 (0.48) HCAR2HAO1ALDH1A1MAPTGPR84
SCHEMBL21843253 0.71 NPC1 (0.48) HCAR2GABRPGABRDGABRA1GABRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105775-B1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2006-09-06 EP disclosed
EP-1105775-A4 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2005-04-13 EP disclosed
EP-1105775-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2001-06-13 EP disclosed
WO-2000003178-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2000-01-20 WO disclosed