SCHEMBL6749290

SCHEMBL6749290

COc1cc(OP(=O)(O)O)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.62
INPP5A Q14642 5/20 0.62
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
INPP5B P32019 1/20 0.46

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
SCHEMBL30662803 0.89 INPPL1 (0.52) INPPL1INPP5AMAPTCYP3A4TUBB4A
SCHEMBL11104314 0.80 ACHE (0.45) INPPL1INPP5AMAPTCYP3A4TUBB4A
SCHEMBL14175313 0.79 TUBB1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27799416 0.79 INPPL1 (0.76) INPPL1INPP5ACYP3A4INPP5BSRC
SCHEMBL14175306 0.78 CYP1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28122387 0.77 INPPL1 (0.67) INPPL1INPP5ACYP3A4INPP5BSRC
SCHEMBL6517656 0.75 MAPT (0.52) MAPTCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL4186085 0.75 INPPL1 (1.00) INPPL1INPP5ACYP3A4INPP5BSRC
SCHEMBL9701188 0.74 INPPL1 (0.68) INPPL1INPP5AMAPTCYP3A4INPP5B
SCHEMBL11336579 0.74 PTGS2 (0.44) MAPTCYP3A4TUBB4ATUBBTUBA3C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6702705-B1 Prodrugs activated by targeted catalytic proteins IGEN INTERNATIONAL, INC. 2004-03-09 US disclosed