SCHEMBL7449462

SCHEMBL7449462

CCOC(=O)CC1CCCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TRPA1 O75762 1/20 0.35
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
UGT2B7 P16662 2/20 0.33
CYP1A2 P05177 2/20 0.33
MIF P14174 1/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL5310378 0.83 ALDH1A1 (0.41) KMT2APOLBMGAMGAASI
SCHEMBL3549456 0.82 EPHX2 (0.38) POLBMGAMGAASIMGAM2
SCHEMBL2911152 0.79 POLB (0.36) KMT2APOLBMGAMGAASI
SCHEMBL2915904 0.78 POLB (0.36) KMT2APOLBMGAMGAASI
SCHEMBL2915475 0.78 POLB (0.36) KMT2APOLBMGAMGAASI
SCHEMBL2917399 0.76 SMN1; SMN2 (0.35) KMT2APOLBMGAMGAASI
SCHEMBL2910368 0.75 POLB (0.37) KMT2APOLBMGAMGAASI
SCHEMBL2916000 0.74 SLC6A12 (0.36) POLBALDH1A1TDP1
SCHEMBL15653541 0.74 MGAM (0.46) KMT2APOLBMGAMGAASI
SCHEMBL1439129 0.74 TDP1 (0.48) KMT2APOLBMGAMGAASI

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-2001087888-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SK CHEMICALS CO., LTD. (KR) 2001-11-22 WO disclosed