SCHEMBL9208656

SCHEMBL9208656

CCCCCCCCCCC[N]CCCC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
SCHEMBL8857482 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL4982453 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7680901 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL8857143 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL9213355 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL1926091 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL95733 0.96 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL277225 0.96 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7697182 0.96 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL4399689 0.96 TSHR (0.61) TSHRTHRBMEN1KMT2ANAAA

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed