SCHEMBL6984696

SCHEMBL6984696

COC(=O)C(=O)c1c(CCO)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
POLB P06746 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL6990972 0.79 NR4A2 (0.48) POLBKDM4EALDH1A1NPSR1HPGD
SCHEMBL5100689 0.77 GABRA1 (0.53) TRPM8MAOAMAOBGABRA1GABRG2
SCHEMBL8637415 0.75 KDM4E (0.55) TRPM8MAOAMAOBGABRA1GABRG2
SCHEMBL6098744 0.75 ALDH1A1 (0.57) TRPM8POLBKDM4EALDH1A1MAPT
SCHEMBL22074470 0.74 TRPM8 (0.54) TRPM8MAOAMAOBGABRA1GABRG2
SCHEMBL3389079 0.74 TRPM8 (0.61) TRPM8MAOAMAOBGABRA1GABRG2
SCHEMBL2084401 0.73 MDH2 (0.66) TRPM8POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL25904016 0.73 TRPM8 (0.59) TRPM8MAOAMAOBGABRA1GABRG2
SCHEMBL8136752 0.72 GABRA1 (0.63) TRPM8GABRA1GABRG2GABRB3GABRA5
SCHEMBL13344651 0.72 NR4A2 (0.45) POLBKDM4EALDH1A1MAPTSMN1; SMN2

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-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 WO disclosed