SCHEMBL6867700

SCHEMBL6867700

CCC(=O)Nc1c(CO)ccc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL6861474 0.85 KDM4E (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6865931 0.78 ERN1 (0.46) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3124246 0.75 HMGCR (0.47) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7510589 0.74 MCL1 (0.40) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30601583 0.71 HTT (0.49) HTTSMN1; SMN2LMNAHPGDTSHR
SCHEMBL13304014 0.71 HTT (0.49) HTTSMN1; SMN2LMNAHPGDTSHR
SCHEMBL12435962 0.70 MAPT (0.49) HTTSMN1; SMN2LMNAHPGDMAPT
SCHEMBL20612885 0.69 TSHR (0.48) HTTSMN1; SMN2LMNAHPGDTSHR
SCHEMBL30761018 0.69 GAA (0.39) SMN1; SMN2TSHRMAPTPOLBKMT2A
SCHEMBL23079291 0.68 GABRA1 (0.48) LMNAHPGDHSD17B10MCL1MAPT

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 2 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