SCHEMBL9205259

SCHEMBL9205259

CCCCCCCCCCCCCCCC1(NCC)CCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
CETP P11597 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
EPHX1 P07099 1/20 0.30

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
SCHEMBL9206540 1.00 TSHR (0.33) TSHRTHRBCETPSIRT2EPHX1
SCHEMBL9206447 1.00 TSHR (0.33) TSHRTHRBCETPSIRT2EPHX1
SCHEMBL9210658 0.94 CETP (0.38) TSHRTHRBCETPSIRT2
SCHEMBL9207980 0.94 CETP (0.38) TSHRTHRBCETPSIRT2
SCHEMBL9213009 0.86 EPHX1 (0.33) TSHRTHRBCETPSIRT2EPHX1
SCHEMBL18594767 0.85 CETP (0.36) CETP
SCHEMBL9210570 0.83 TSHR (0.32) TSHRCETPEPHX1
SCHEMBL9204846 0.83 ALDH1A1 (0.32) TSHRCETPEPHX1
SCHEMBL9843071 0.82 EPHX1 (0.38) TSHRTHRBEPHX1
SCHEMBL9207714 0.81 EPHX1 (0.36) TSHRTHRBCETPSIRT2EPHX1

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