SCHEMBL27752629

SCHEMBL27752629

CCc1cnc(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
NNMT P40261 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2095195 0.82 LMNA (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4986376 0.82 DPP4 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6794136 0.82 TUBB4A (0.39) TAAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14188928 0.82 TUBB4A (0.40) TAAR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4136184 0.80 SLC6A2 (0.49) TAAR1P2RX3P2RX2NOS3NOS1
SCHEMBL10263430 0.80 NOS3 (0.55) NNMTKDM4EL3MBTL1NOS3NOS1
SCHEMBL2095190 0.79 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22448748 0.78 NNMT (0.42) NNMTNOS3NOS1NOS2GAA
SCHEMBL15941382 0.78 NOS3 (0.44) TAAR1P2RX3P2RX2NNMTNOS3
SCHEMBL18314758 0.78 NNMT (0.39) TAAR1NNMTNOS3NOS1NOS2

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
CN-101454319-B Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD 2012-06-27 CN disclosed
CN-101454319-A Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD (JP) 2009-06-10 CN disclosed