SCHEMBL6769412

SCHEMBL6769412

CCCC(=O)N(C)c1cc(C)c(Oc2ccc(OC)c(SC(C)C)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL6769373 0.81 MTNR1B (0.47) ALDH1A1THRATHRBMTNR1AMTNR1B
SCHEMBL6769171 0.81 THRB (0.31) THRB
SCHEMBL6775933 0.74 MTNR1B (0.46) KDM4ETHRATHRBMTNR1BLMNA
SCHEMBL6775732 0.72 RORC (0.54) ALDH1A1THRATHRBMTNR1AMTNR1B
SCHEMBL6765992 0.71 AR (0.52) RAB9ATHRATHRB
SCHEMBL6775887 0.69 THRB (0.36) KDM4EALDH1A1RAB9ATHRBLMNA
SCHEMBL15434478 0.68 KDM4E (0.42) KDM4EALDH1A1TP53RAB9AHSD17B10
SCHEMBL3222511 0.66 THRB (0.47) THRATHRB
SCHEMBL3227804 0.65 THRB (0.39) ALDH1A1THRATHRB
SCHEMBL3227821 0.64 THRB (0.41) ALDH1A1THRATHRB

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-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed