SCHEMBL8160664

SCHEMBL8160664

CC(=O)OC(=O)[C@@H](N)Cc1ccc(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
THRA P10827 5/20 0.51
LMNA P02545 5/20 0.51
PPARG P37231 3/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
ABCB11 O95342 1/20 0.51
F2 P00734 1/20 0.51
PCNA P12004 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
ADORA1 P30542 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51

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
SCHEMBL951158 0.87 THRB (0.52) THRBMEN1KMT2ATHRALMNA
SCHEMBL9647408 0.87 THRB (0.52) THRBMEN1KMT2ATHRALMNA
SCHEMBL6473053 0.87 ALOX15 (0.64) MEN1KMT2ALMNAPPARGCYP2D6
Hydrochloric Acid SCHEMBL9662459 0.86 ALDH1A1 (0.53) THRBMEN1KMT2ATHRALMNA
SCHEMBL3683264 0.86 THRB (0.52) THRBMEN1KMT2ATHRALMNA
Hydrochloric Acid SCHEMBL7673388 0.86 ALDH1A1 (0.53) THRBMEN1KMT2ATHRALMNA
SCHEMBL3683267 0.86 THRB (0.52) THRBMEN1KMT2ATHRALMNA
SCHEMBL27294832 0.85 THRB (0.53) THRBMEN1KMT2ATHRALMNA
SCHEMBL7903283 0.85 THRB (0.74) THRBMEN1KMT2ATHRALMNA
SCHEMBL7266117 0.83 THRB (0.49) THRBMEN1KMT2ATHRALMNA

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
WO-2000040217-B1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-10-05 WO claimed