SCHEMBL9713989

SCHEMBL9713989

CCOc1cc(OC(C)=O)c2cc(Sc3ccc(OC)cc3)ccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37

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
SCHEMBL10706196 0.86 ABCB11 (0.45) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9713745 0.81 BACE1 (0.39) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9628112 0.80 TUBB4A (0.45) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9713801 0.79 ABCB11 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9713986 0.79 HTT (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9627507 0.77 HTT (0.48) ALDH1A1GAAHTTABCB11MAPT
SCHEMBL9628542 0.76 HTT (0.43) ALDH1A1GAAHTTABCB11MAPT
SCHEMBL9628145 0.76 CA12 (0.46) HTTABCB11CYP3A4TSHRMEN1
SCHEMBL9628176 0.76 ABCB11 (0.56) ALDH1A1GAAHTTABCB11MAPT
SCHEMBL9713686 0.76 NPC1 (0.39) HTTCYP3A4

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed