SCHEMBL7546522

SCHEMBL7546522

CCCCCCCCCCCCCC[N+](C)(C)CC.CCCCCCCCCCCCc1ccc(C(=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.51
THRB P10828 8/20 0.51
RARB P10826 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
HAO1 Q9UJM8 1/20 0.51
PLA2G1B P04054 3/20 0.48
ATG4B Q9Y4P1 3/20 0.48

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
SCHEMBL20154116 0.85 ALDH1A1 (0.54) THRATHRBRARBMEN1KMT2A
Tetrabuthylammonium SCHEMBL11634003 0.85 THRA (0.56) THRATHRBRARBMEN1KMT2A
SCHEMBL28554904 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL9820828 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL3684132 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL15263220 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL28815615 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL11055220 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL3691662 0.85 THRA (0.63) THRATHRBRARBMEN1KMT2A
SCHEMBL15263218 0.85 THRA (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed