SCHEMBL9853978

SCHEMBL9853978

COc1cc(CCc2cccc(C(=O)Cl)c2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.52
TUBB P07437 3/20 0.52
TUBA3C P0DPH7 3/20 0.52
TUBA1B P68363 3/20 0.52
TUBA4A P68366 3/20 0.52
TUBB4B P68371 3/20 0.52
TUBB3 Q13509 3/20 0.52
TUBB2A Q13885 3/20 0.52
TUBB8 Q3ZCM7 3/20 0.52
TUBA3E Q6PEY2 3/20 0.52
TUBA1A Q71U36 3/20 0.52
TUBA1C Q9BQE3 3/20 0.52
TUBB6 Q9BUF5 3/20 0.52
TUBB2B Q9BVA1 3/20 0.52
TUBB1 Q9H4B7 3/20 0.52
LMNA P02545 1/20 0.51
CYP19A1 P11511 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL10397869 0.86 LMNA (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9089602 0.77 CALM1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25253512 0.76 PDK1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3892580 0.75 KAT6A (0.50) CYP4F2CYP4A11
SCHEMBL7138097 0.75 HDAC1 (0.44) CYP19A1CYP4F2CYP4A11
SCHEMBL21530612 0.74 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28275397 0.74 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL219096 0.74 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4464142 0.74 HTR2A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2133327 0.73 MRGPRX4 (0.49) LMNAKMT2AMEN1CYP4F2CYP4A11

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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed