SCHEMBL6861474

SCHEMBL6861474

COc1ccc(CO)c(NC(C)=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
IDO1 P14902 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MCL1 Q07820 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL6867700 0.85 HTT (0.46) MCL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7510589 0.76 MCL1 (0.40) KDM4EIDO1MCL1TUBB4ATUBB
SCHEMBL6868462 0.75 ERN1 (0.54) KDM4EMAPTHSD17B10SAE1UBA2
SCHEMBL11166803 0.73 ALDH1A1 (0.54) CYP1A2CYP2C9MAPTALDH1A1LMNA
SCHEMBL19301986 0.71 ALDH1A1 (0.41) KDM4EIDO1CYP1A2CYP2C9MAPT
SCHEMBL7430014 0.71 ALOX15 (0.42) KDM4EIDO1CYP1A2CYP2C9MAPT
SCHEMBL5332980 0.69 KDM4E (0.47) KDM4EIDO1CYP1A2CYP2C9MAPT
SCHEMBL2888596 0.69 PDE4A (0.49) KDM4EMAPTATMALDH1A1TSHR
SCHEMBL9023932 0.69 ALDH1A1 (0.53) KDM4EIDO1CYP1A2CYP2C9MAPT
SCHEMBL7500143 0.69 KDM4E (0.53) KDM4EIDO1CYP1A2CYP2C9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095040-B1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-31 EP disclosed
US-6376485-B1 SELECTIVE PHOSPHODIESTERASE INHIBITORS FOR TREATING ASTHMA, BRONCHITIS, AND EMPHYSEMA; HIGH BIOAVAILABILITY AND LOW TOXICITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-04-23 US disclosed
EP-1095040-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-05-02 EP disclosed
WO-2000001695-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-13 WO disclosed