SCHEMBL4743510

SCHEMBL4743510

COc1cc(OC)cc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63
TUBB2A Q13885 1/20 0.63
TUBB8 Q3ZCM7 1/20 0.63
TUBA3E Q6PEY2 1/20 0.63
TUBA1A Q71U36 1/20 0.63
TUBA1C Q9BQE3 1/20 0.63
TUBB6 Q9BUF5 1/20 0.63
TUBB2B Q9BVA1 1/20 0.63
TUBB1 Q9H4B7 1/20 0.63
GFER P55789 4/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
HTR7 P34969 1/20 0.59
PTGS2 P35354 1/20 0.56

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
SCHEMBL4747947 0.91 GFER (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4745889 0.90 KMT2A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4743525 0.88 CA1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4744282 0.87 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4747367 0.85 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4743912 0.85 KMT2A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4743966 0.85 CA1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4747357 0.83 PTGS2 (0.61) GFERKMT2AMEN1HTR7PTGS2
SCHEMBL4743532 0.83 GFER (0.70) GFERKMT2AMEN1HTR7ALDH1A1
SCHEMBL4745925 0.83 ALDH1A1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed