SCHEMBL3497068

SCHEMBL3497068

O=C(c1ccccc1Cl)C(O)[C@H]1O[C@@](O)(Cl)C[C@@]1(O)C(=O)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX7 Q99572 3/20 0.32
NPC1 O15118 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL594792 0.84 NPC1 (0.33) RAB9AALDH1A1MGLLSMN1; SMN2P2RX7
SCHEMBL4986617 0.84 NPC1 (0.33) RAB9AALDH1A1MGLLSMN1; SMN2P2RX7
SCHEMBL2493301 0.84 NPC1 (0.33) RAB9AALDH1A1MGLLSMN1; SMN2P2RX7
SCHEMBL6758348 0.78 P2RX7 (0.34) CES2CES1RAB9AALDH1A1MGLL
SCHEMBL3390440 0.73 ALDH1A1 (0.34) RAB9AALDH1A1MGLLP2RX7NPC1
SCHEMBL8718920 0.72 HPGD (0.33) CES2CES1RAB9AALDH1A1TDP1
SCHEMBL2471234 0.72 HPGD (0.33) CES2CES1RAB9AALDH1A1TDP1
SCHEMBL8960840 0.63 SLC6A2 (0.33) RAB9AALDH1A1MGLLP2RX7NPC1
SCHEMBL6842407 0.63 SLC6A2 (0.33) RAB9AALDH1A1MGLLP2RX7NPC1
SCHEMBL8112015 0.62 KMT2A (0.33) CES2CES1ALDH1A1P2RX7GAA

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
US-20100210833-A1 METHOD OF PRODUCING NUCLEOSIDES CILAG AG (CH) 2010-08-19 US disclosed