SCHEMBL9508588

SCHEMBL9508588

Cc1cnc(C(=O)O)c(C)c1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 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
SCHEMBL7190906 0.98 HCAR2 (0.45) HCAR2NOS3NOS1NOS2KDM4E
SCHEMBL28276724 0.82 GABRP (0.43) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL6171824 0.81 NOS3 (0.45) HCAR2NOS3NOS1NOS2KDM4E
SCHEMBL1819716 0.79 GABRP (0.44) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL14212262 0.79 HCAR2 (0.48) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL16011625 0.79 CYP3A4 (0.44) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL3090048 0.79 NOS3 (0.48) NOS3NOS1NOS2GABRPGABRD
SCHEMBL15350036 0.79 HCAR2 (0.48) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL18496869 0.79 NOS3 (0.43) HCAR2NOS3NOS1NOS2KDM4E
SCHEMBL30968742 0.79 GABRP (0.44) HCAR2KDM4EGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP claimed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 US claimed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP claimed
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP disclosed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 US disclosed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP disclosed