SCHEMBL8994707

SCHEMBL8994707

COC1=CC(P(c2ccccc2)c2ccccc2)(P(c2ccccc2)c2ccccc2)[C@H](c2ccc(OC)c(OC)c2OC)C(OC)=C1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL9243485 1.00 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8994728 0.71 GAA (0.34) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7087347 0.60 SMN1; SMN2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6833825 0.60 NFE2L2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6841051 0.60 NFE2L2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6836065 0.60 SMN1; SMN2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29848640 0.60 SMN1; SMN2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29616885 0.60 SIRT1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8994734 0.58 BACE1 (0.35) KDM4EALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL30701949 0.58 CA9 (0.50) KDM4EALDH1A1TDP1SMN1; SMN2HPGD

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-5488172-A Chiral phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-01-30 US claimed