SCHEMBL5541231

SCHEMBL5541231

O=C1CCC(CC(F)(F)F)(C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
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
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
SCHEMBL12736752 0.79 CYP2C19 (0.45) CYP2C19
SCHEMBL22294115 0.78 CYP2C19 (0.34) CYP2C19MEN1CYP2C9KMT2A
SCHEMBL165219 0.74 CYP2C19 (0.34) CYP2C19MEN1CYP2C9KMT2A
SCHEMBL19767 0.71 CPB2 (0.35) CYP2C19MEN1CYP2C9KMT2A
SCHEMBL31435809 0.69 KCNA3 (0.33) CYP2C19MEN1CYP2C9KMT2A
SCHEMBL17049040 0.68 CPB2 (0.39) MEN1KMT2A
SCHEMBL16628708 0.67 KCNA3 (0.35) MEN1KMT2A
SCHEMBL11808804 0.67 KMT2A (0.44) MEN1CYP2C9KMT2A
SCHEMBL11838266 0.67 SIRT2 (0.39)
SCHEMBL2407458 0.67 CYP2C19 (0.32) CYP2C19MEN1CYP2C9KMT2A

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-20070010632-A1 Antioxidant-functionalized polymers TRUSTEES OF TUFTS COLLEGE 2007-01-11 US disclosed
WO-2004050795-A2 ANTIOXIDANT-FUNCTIONALIZED POLYMERS TUFTS UNIVERSITY (US) 2004-06-17 WO disclosed