SCHEMBL9183258

SCHEMBL9183258

CCc1nc(P(=O)(O)O)[nH]c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
PIN1 Q13526 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL948852 0.74 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2491316 0.62 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21843253 0.61 NPC1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15213235 0.61 HAO1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2761841 0.60 CYP1A2 (0.49) LMNA
SCHEMBL2589542 0.59 HCAR2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11389117 0.59 KDM4E (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2804373 0.59 PIN1 (0.44) PIN1LMNA
SCHEMBL17479406 0.58 HCAR2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2180444 0.58 GABRP (0.43) 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
US-5378379-A Phosphate surfactant, fluozirconic acid, fluoride compound HENKEL CORPORATION (US) 1995-01-03 US disclosed