SCHEMBL11219409

SCHEMBL11219409

COc1cc(OCC(O)CBr)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.39

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
SCHEMBL9585998 0.85 TSHR (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9585704 0.85 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL772823 0.83 KMT2A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1041275 0.78 MAPT (0.40) TUBB1MAPTTSHRMAPK1KMT2A
SCHEMBL1496552 0.75 KMT2A (0.56) MAPTTSHRMAPK1KMT2ALMNA
SCHEMBL11594890 0.75 KMT2A (0.47) MAPTTSHRMAPK1KMT2AAGTR1
SCHEMBL7471139 0.74 TUBB1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9122056 0.73 TSHR (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1496545 0.73 TSHR (0.73) MAPTTSHRMAPK1KDM4EL3MBTL1
SCHEMBL7282715 0.73 KDM4E (0.53) CYP3A4MAPTTSHRKMT2AKDM4E

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-4335126-A SEDATIVES, TRANQUILIZERS, AND ANTIPYRETICS; NEUROLEPTIC AND ANTIEDEMIC AGENTS DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed