SCHEMBL9508204

SCHEMBL9508204

C=CCN(OCc1ccccc1)C(=O)c1ccc(CCCCCCCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.50
THRB P10828 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATG4B Q9Y4P1 11/20 0.48
PLA2G1B P04054 9/20 0.48
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 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
SCHEMBL9504824 0.85 THRA (0.50) THRATHRBMEN1KMT2A
SCHEMBL9508886 0.78 THRA (0.52) THRATHRBMEN1KMT2A
SCHEMBL27671415 0.77 THRA (0.49) THRATHRBMEN1KMT2A
SCHEMBL9506911 0.77 THRA (0.57) THRATHRBMEN1KMT2A
SCHEMBL11115180 0.74 TSHR (0.49) MEN1KMT2A
SCHEMBL9506661 0.74 HDAC1 (0.48) THRATHRBMEN1KMT2A
SCHEMBL9506028 0.73 THRA (0.52) THRATHRBMEN1KMT2AATG4B
Phenol SCHEMBL28100119 0.73 THRB (0.57) THRATHRBMEN1KMT2AATG4B
SCHEMBL9508884 0.72 THRA (0.51) THRATHRBMEN1KMT2AATG4B
SCHEMBL9508914 0.72 THRA (0.56) THRATHRBMEN1KMT2A

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed