SCHEMBL7568939

SCHEMBL7568939

CN1C(C)(C)CCC(C(=O)O)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APLNR P35414 1/20 0.31
FFAR3 O14843 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
SCHEMBL438904 0.80 SLC1A2 (0.42) SLC1A2SLC1A1ALDH1A1NPSR1L3MBTL1
SCHEMBL438903 0.80 SLC1A2 (0.42) SLC1A2SLC1A1ALDH1A1NPSR1L3MBTL1
SCHEMBL7634478 0.79 APLNR (0.38) SLC1A2SLC1A1TSHRNFKB1CYP2C19
SCHEMBL28072567 0.72 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL2678629 0.70 GAA (0.38) TSHRNFKB1CYP2C19ALDH1A1L3MBTL1
SCHEMBL1846971 0.70 SLC1A2 (0.47) SLC1A2SLC1A1TSHRNFKB1CYP2C19
SCHEMBL12221730 0.70 SLC1A2 (0.47) SLC1A2SLC1A1TSHRNFKB1CYP2C19
SCHEMBL12221740 0.70 SLC1A2 (0.47) SLC1A2SLC1A1TSHRNFKB1CYP2C19
SCHEMBL3147718 0.69
SCHEMBL1801231 0.68 TSHR (0.34) TSHRNFKB1CYP2C19ALDH1A1

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-2002079300-A1 WETFAST POLYAMIDE FIBER WITH HIGH AMINO END GROUP CONTENT BASF AKTIENGESELLSCHAFT (DE) 2002-10-10 WO claimed