SCHEMBL7821680

SCHEMBL7821680

CCCCCCCc1ccc(C(=O)OC(=O)c2ccccc2CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.51
PLK3 Q9H4B4 3/20 0.51
THRA P10827 8/20 0.49
THRB P10828 8/20 0.49
RARB P10826 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 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
SCHEMBL27712415 0.86 RARB (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL9698325 0.86 RARB (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL10626442 0.86 RARB (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL10626429 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL11071710 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL6655352 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL9698319 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL6886269 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL6653441 0.86 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL1790208 0.85 TSHR (0.48) THRATHRBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed