SCHEMBL6758348

SCHEMBL6758348

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PRMT5 O14744 1/20 0.31
MGLL Q99685 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6842407 0.84 SLC6A2 (0.33) P2RX7ALDH1A1RAB9ANPC1MAPT
SCHEMBL3497068 0.78 CES2 (0.34) P2RX7CES2CES1ALDH1A1RAB9A
SCHEMBL8044926 0.75 P2RX7 (0.32) P2RX7CES2CES1PTGS2GAA
SCHEMBL4750928 0.70 SLC6A2 (0.31) P2RX7ALDH1A1
SCHEMBL4411815 0.69 CTNNB1 (0.32) P2RX7ALDH1A1MGLL
SCHEMBL1799676 0.66 TDP1 (0.33) ALDH1A1RAB9ANPC1TDP1
SCHEMBL3390440 0.63 ALDH1A1 (0.34) P2RX7ALDH1A1RAB9ANPC1MAPT
SCHEMBL28032552 0.63 CES2 (0.60) CES2CES1ALDH1A1RAB9APOLB
SCHEMBL4986617 0.63 NPC1 (0.33) P2RX7ALDH1A1RAB9APOLBNPC1
SCHEMBL594792 0.63 NPC1 (0.33) P2RX7ALDH1A1RAB9APOLBNPC1

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-6716971-B1 CAN BE USED IN THE CHEMICAL SYNTHESIS OF FLUORESCENT OLIGONUCLEOTIDE. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-04-06 US disclosed