SCHEMBL9133045

SCHEMBL9133045

B.CCCCc1cc(CCCC)c(O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
PPARA Q07869 2/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47

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
SCHEMBL211842 0.98 KAT8 (0.53) KAT8AKR1C2AKR1C1PPARAGABRP
SCHEMBL11478526 0.97 KAT8 (0.51) KAT8AKR1C2AKR1C1PPARAGABRP
SCHEMBL11477238 0.97 KAT8 (0.51) KAT8AKR1C2AKR1C1PPARAGABRP
SCHEMBL9133047 0.97 KAT8 (0.51) KAT8AKR1C2AKR1C1PPARAGABRP
SCHEMBL11477241 0.97 KAT8 (0.51) KAT8AKR1C2AKR1C1PPARAGABRP
SCHEMBL8981485 0.94 KAT8 (0.59) KAT8AKR1C2AKR1C1PPARAPTPN1
SCHEMBL7780121 0.92 KAT8 (0.61) KAT8AKR1C2AKR1C1PPARARARB
SCHEMBL9303706 0.92 KAT8 (0.61) KAT8AKR1C2AKR1C1PPARARARB
SCHEMBL9955366 0.92 KAT8 (0.61) KAT8AKR1C2AKR1C1PPARARARB
SCHEMBL3220998 0.92 KAT8 (0.61) KAT8AKR1C2AKR1C1PPARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385798-A Used in electrography, xerography, imaging and printing processes XEROX CORPORATION (US) 1995-01-31 US disclosed
US-5256515-A High speed electrography; resolution XEROX CORPORATION (US) 1993-10-26 US disclosed