SCHEMBL14219610

SCHEMBL14219610

BC(C)(C)C(=O)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.38
TBXAS1 P24557 7/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.33
NFKB1 P19838 1/20 0.33
QPCT Q16769 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL4616972 0.83 CYP24A1 (0.43) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL14219626 0.82 NFKB1 (0.39) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL27397907 0.80 CYP24A1 (0.38) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL9610803 0.80 CYP24A1 (0.38) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL7789777 0.80 CYP24A1 (0.38) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL22160768 0.77 CYP24A1 (0.37) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL156615 0.75 MAPT (0.37) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL5314422 0.75 ALDH1A1 (0.36) CYP24A1TBXAS1ALDH1A1HTTNFKB1
SCHEMBL13446154 0.75 L3MBTL1 (0.40) CYP24A1TBXAS1ALDH1A1HTTLMNA
SCHEMBL3027719 0.72 L3MBTL1 (0.38) CYP24A1TBXAS1ALDH1A1HTTLMNA

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
EP-1623002-B1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2008-04-02 EP disclosed
EP-1583814-B1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2007-07-11 EP disclosed