SCHEMBL7624315

SCHEMBL7624315

CCCCCc1ccc(C(=O)OO[C]2CCC(CCCC)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.44
THRB P10828 10/20 0.44
RARB P10826 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
FAAH O00519 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL7625897 0.99 THRA (0.46) THRATHRBRARBMEN1KMT2A
SCHEMBL7625785 0.96 RARB (0.42) THRATHRBRARBALDH1A1
SCHEMBL7629434 0.94 PLK1 (0.38) THRATHRBRARB
SCHEMBL7634238 0.92 THRA (0.45) THRATHRBRARBMEN1KMT2A
SCHEMBL7634988 0.91 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL7628075 0.91 THRA (0.47) THRATHRBRARBMEN1KMT2A
SCHEMBL7630708 0.88 RARB (0.43) THRATHRBRARBALDH1A1
SCHEMBL7629657 0.88 THRA (0.46) THRATHRBRARBMEN1KMT2A
SCHEMBL7633563 0.87 THRA (0.44) THRATHRBRARBMEN1KMT2A
SCHEMBL7630517 0.87 THRA (0.48) THRATHRBRARBMEN1KMT2A

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed