SCHEMBL2912573

SCHEMBL2912573

C=C(C)COc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
TSHR P16473 3/20 0.52
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
HDAC4 P56524 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
HDAC1 Q13547 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL642934 0.94 MAPT (0.59) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL2912393 0.87 CA12 (0.65) TSHRKMT2AALDH1A1HDAC3TUBB4A
SCHEMBL19558318 0.85 CA12 (0.54) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL2913639 0.85 PDE4A (0.47) MAPTKMT2APDE4APDE4BPDE4C
SCHEMBL3629768 0.84 NOTUM (0.48) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL3009040 0.84 MAPT (0.43) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL1018163 0.84 NOTUM (0.44) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL18581520 0.84 USP2 (0.56) MAPTALDH1A1HSD17B10PDE4APDE4B
SCHEMBL12035935 0.84 TTR (0.54) MAPTTSHRKMT2AALDH1A1HSD17B10
SCHEMBL3023191 0.84 MGLL (0.49) MAPTTSHRKMT2AALDH1A1HSD17B10

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-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
US-6121274-A PHOSPHODIESTERASE INHIBITOR FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-19 US disclosed