SCHEMBL7209211

SCHEMBL7209211

COC(c1ccccc1)N1CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL5221988 0.90 CHRM2 (0.50) L3MBTL1CYP3A4CYP2C19POLBALDH1A1
SCHEMBL16915160 0.77 RET (0.38) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL28041845 0.76 CYP2D6 (0.40) CYP3A4CYP2C19ALDH1A1CHRM2CHRM4
SCHEMBL6580284 0.76 CYP3A4 (0.47) L3MBTL1CYP3A4CYP2C19NPC1RAB9A
SCHEMBL23886508 0.74 CYP3A4 (0.60) CYP3A4CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL20536090 0.74 CYP2D6 (0.54) L3MBTL1CYP3A4CYP2C19ALDH1A1CHRM2
SCHEMBL14200160 0.73 PSEN1 (0.33) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11035416 0.73 CHRM2 (0.50) L3MBTL1NPC1RAB9APOLBCHRM2
SCHEMBL23904643 0.71 CYP3A4 (0.60) L3MBTL1CYP3A4CYP2C19NPC1RAB9A
SCHEMBL5228029 0.71 CHRM2 (0.48) NPC1RAB9APOLBCHRM2CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251846-A4 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2003-03-12 EP disclosed
EP-1251846-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-30 EP disclosed
WO-2001056565-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-09 WO disclosed