SCHEMBL28275397

SCHEMBL28275397

COc1cc(C(=O)Cl)cc(OC)c1OC.COc1cc(C(=O)Cl)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.55
TUBB P07437 3/20 0.55
TUBA3C P0DPH7 3/20 0.55
TUBA1B P68363 3/20 0.55
TUBA4A P68366 3/20 0.55
TUBB4B P68371 3/20 0.55
TUBB3 Q13509 3/20 0.55
TUBB2A Q13885 3/20 0.55
TUBB8 Q3ZCM7 3/20 0.55
TUBA3E Q6PEY2 3/20 0.55
TUBA1A Q71U36 3/20 0.55
TUBA1C Q9BQE3 3/20 0.55
TUBB6 Q9BUF5 3/20 0.55
TUBB2B Q9BVA1 3/20 0.55
TUBB1 Q9H4B7 3/20 0.55
TPMT P51580 1/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 4/20 0.51

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
SCHEMBL219096 1.00 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28788059 0.91 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11564666 0.91 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29728505 0.91 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29728503 0.88 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28788063 0.88 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27189692 0.88 ALDH1A1 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14218378 0.88 TPMT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30822595 0.88 ALDH1A1 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7122998 0.87 BPTF (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-109354581-A A kind of preparation method of Troxipide 北大医药股份有限公司 2019-02-19 CN disclosed