SCHEMBL8934082

SCHEMBL8934082

COc1cc(OCCCCCCO)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.50
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
PDE5A O76074 1/20 0.44
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL9040929 0.87 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11044739 0.82 TUBB1 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8933986 0.82 CYP3A4 (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8955830 0.81 CNR1 (0.47) TP53ALOX15
SCHEMBL1008366 0.81 PNLIP (0.55) TUBB1MAPT
SCHEMBL25798997 0.80 TDP1 (0.38) TUBB1KMT2ATP53ALOX15
SCHEMBL28900604 0.80 TUBB1 (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9128080 0.80 NPC1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9041895 0.79 TUBB1 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL902497 0.79 TUBB1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
WO-1996015671-A1 HERBICIDES ZENECA LIMITED (GB) 1996-05-30 WO disclosed
WO-1996015672-A1 FUNGICIDAL COMPOSITION ZENECA LIMITED (GB) 1996-05-30 WO disclosed