SCHEMBL28045277

SCHEMBL28045277

CCCOc1ccc(OC)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL7628481 0.81 SMN1; SMN2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31096135 0.79 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21823680 0.79 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30701949 0.78 CA9 (0.50) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL3674074 0.78 CA9 (0.50) SMN1; SMN2KDM4EALDH1A1MAPTPOLB
SCHEMBL5841179 0.78 PLAU (0.48) TUBB1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL15682029 0.77 PDE4D (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14827795 0.76 SMN1; SMN2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6003256 0.76 CNR1 (0.50) GAAMAPTMEN1KMT2A
SCHEMBL2591219 0.76 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MAPTPOLB

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
CN-105111051-A Green solvent for alpha-asarin synthesis and application method thereof GUANGXI ECAN PHARMACEUTICAL CO LTD 2015-12-02 CN disclosed