SCHEMBL9898962

SCHEMBL9898962

O=C1CC(=NOCc2ccccc2)CC(=NOCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD11B1 P28845 1/20 0.40
TSHR P16473 2/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL9898960 1.00 NPC1 (0.51) NPC1RAB9AHSD11B1TSHRTUBB4A
SCHEMBL9898749 0.96 NPC1 (0.51) NPC1RAB9AHSD11B1TSHRTUBB4A
SCHEMBL2045918 0.91 NPC1 (0.59) NPC1RAB9AHSD11B1TSHRALDH1A1
SCHEMBL9899261 0.83 RAB9A (0.47) NPC1RAB9AHSD11B1ALDH1A1MAOA
SCHEMBL9899260 0.83 RAB9A (0.47) NPC1RAB9AHSD11B1ALDH1A1MAOA
SCHEMBL9899705 0.82 NPC1 (0.51) NPC1RAB9AHSD11B1TSHRTUBB4A
SCHEMBL2045056 0.80 RAB9A (0.53) NPC1RAB9AHSD11B1TSHRALDH1A1
SCHEMBL2045054 0.80 RAB9A (0.53) NPC1RAB9AHSD11B1TSHRALDH1A1
SCHEMBL9898936 0.80 ALDH1A1 (0.51) NPC1RAB9AHSD11B1ALDH1A1
SCHEMBL9898937 0.80 ALDH1A1 (0.51) NPC1RAB9AHSD11B1ALDH1A1

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
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed