SCHEMBL11533490

SCHEMBL11533490

CC(C)(C)C1CCCC(C(=O)O)=C1N

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.33
CES2 O00748 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30

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
SCHEMBL11495477 0.71 NOS3 (0.37) OAT
SCHEMBL2489857 0.67 ALDH1A1 (0.43)
SCHEMBL28306855 0.65 FFAR1 (0.30)
SCHEMBL11641776 0.65 NOS1 (0.41) OAT
SCHEMBL25097808 0.64
SCHEMBL2690457 0.63 CA1 (0.41)
SCHEMBL1817189 0.63 KMT2A (0.40) OAT
SCHEMBL4026489 0.63 HCAR2 (0.33)
SCHEMBL5474955 0.62 KDM4E (0.39) OAT
SCHEMBL5573551 0.62 KMT2A (0.43) OAT

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-4139700-A ACID-CATALYZED CYCLIZATION OF SULFAMOYL ACID OR ESTER MONSANTO COMPANY (US) 1979-02-13 US disclosed