SCHEMBL28036009

SCHEMBL28036009

COc1ccc(C(CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.63
MGAM O43451 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.51
PDPK1 O15530 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL2397228 0.91 L3MBTL1 (0.69) L3MBTL1MGAMGAASIMGAM2
SCHEMBL2882111 0.83 L3MBTL1 (0.63) L3MBTL1MGAMGAASIMGAM2
SCHEMBL2882114 0.83 L3MBTL1 (0.63) L3MBTL1MGAMGAASIMGAM2
SCHEMBL13613539 0.82 PDPK1 (0.57) L3MBTL1ALDH1A1NPC1RAB9ATDP1
SCHEMBL18055503 0.82 FNTA (0.59) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL11522648 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL28454269 0.80 L3MBTL1 (0.67) L3MBTL1MGAMGAASIMGAM2
SCHEMBL16807279 0.80 HPGD (0.57) L3MBTL1GAAALDH1A1NPC1RAB9A
SCHEMBL7328371 0.80 L3MBTL1 (0.62) L3MBTL1ALDH1A1NPC1RAB9ATDP1
SCHEMBL4435855 0.80 CNR2 (0.52) L3MBTL1GAANPC1RAB9ATDP1

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
CN-105001066-A Synthetic method of alpha-alkyl ketone by iodine catalyzed beta-keto acid decarboxylation substitution reaction UNIV QIQIHAR 2015-10-28 CN disclosed