SCHEMBL4596649

SCHEMBL4596649

O=C(O)OC1(CO)c2ccccc2Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
P2RX4 Q99571 4/20 0.36
P2RX1 P51575 1/20 0.36
P2RX3 P56373 1/20 0.36
SLC6A1 P30531 1/20 0.34
CHRM3 P20309 4/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
AKR1B1 P15121 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1861404 0.87 KMT2A (0.36) ALOX5P2RX4P2RX1P2RX3SLC6A1
SCHEMBL7599789 0.81 ALOX5 (0.32) ALOX5P2RX4P2RX1P2RX3SLC6A1
SCHEMBL27546411 0.79 CHRM3 (0.39) ALOX5P2RX4CHRM3LMNA
SCHEMBL3641456 0.79 ALOX5 (0.39) ALOX5P2RX4P2RX1P2RX3CHRM3
Bromomethane SCHEMBL28363986 0.77 P2RX4 (0.33) ALOX5P2RX4P2RX1P2RX3
SCHEMBL3890644 0.77 ALOX5 (0.38) ALOX5P2RX4CHRM3CHRM2CHRM1
SCHEMBL523372 0.75 ALOX5 (0.39) ALOX5P2RX4P2RX1P2RX3SLC6A1
Bromide SCHEMBL27743791 0.74 ALOX5 (0.38) ALOX5P2RX4P2RX1P2RX3SLC6A1
SCHEMBL29556345 0.71 ALOX5 (0.39) ALOX5P2RX4CHRM3CYP2C9ATM
SCHEMBL6973661 0.71 ALOX5 (0.39) ALOX5P2RX4CHRM3CYP2C9ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024244-A Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INT 2014-09-03 CN disclosed
EP-1877376-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-16 EP disclosed
EP-1874781-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-09 EP disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO disclosed