SCHEMBL14393000

SCHEMBL14393000

CC(C)OP(=O)(Cc1[nH]c2ccccc2c1Br)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
PKM P14618 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL5403459 0.70 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4EHPGDMEN1
SCHEMBL10644926 0.70 KIF11 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL716870 0.69 TRPM8 (0.43) ALDH1A1L3MBTL1KDM4ETRPM8CYP3A4
SCHEMBL14392999 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL31534629 0.67 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8064218 0.65 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL12212071 0.63 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL9112737 0.63 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDMEN1
SCHEMBL9449170 0.63 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EHPGDMEN1
SCHEMBL20937743 0.63 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1

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
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed