SCHEMBL9075616

SCHEMBL9075616

COc1cc([C@@H]2CS[C@@H](c3cc(OC)c(OCCO)c([N+](=O)[O-])c3)S2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.35

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
SCHEMBL9075602 1.00 TUBB1 (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9075608 1.00 TUBB1 (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9373213 0.91 TUBB4A (0.43) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7818176 0.89 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7814869 0.89 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7814865 0.89 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7814862 0.89 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7818182 0.89 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8886344 0.87 TUBB1 (0.42) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8886351 0.87 TUBB1 (0.42) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530141-A REDUCES THE CHEMOTAXIS AND RESPIRATORY BURST LEADING TO THE FORMATION OF DAMAGING OXYGEN RADICAL DURING INFLAMMATORY AND IMMUNE RESPONSE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1996-06-25 US disclosed
WO-1994006790-A1 2,4-DIARYL-1,3-DITHIOLANES; 2,4-DIARYL-1,3-DIOXOLANES; 2,4-DIARYL-1,3-OXATHIOLANES; AND 2,5-DIARYL-1,3-OXATHIOLANES AS PAF RECEPTOR ANTGONISTS AND INHIBITORS OF 5-LIPOXYGENASE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1994-03-31 WO disclosed