SCHEMBL11590207

SCHEMBL11590207

O=C(O)c1ccc(CC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL2812600 0.91 KMT2A (0.56) GRIK1KMT2AMEN1ALDH1A1GAA
SCHEMBL3515654 0.84 GBA1 (0.53) KMT2AMEN1PLGPLATLMNA
SCHEMBL1662783 0.84 GBA1 (0.53) KMT2AMEN1PLGPLATLMNA
Terephthalic Acid SCHEMBL6654100 0.83 TSHR (0.60) PLGPLATLMNAALDH1A1TP53
SCHEMBL13687812 0.83 KMT2A (0.50) GRIK1KMT2AMEN1ALDH1A1GAA
SCHEMBL11228193 0.82 KMT2A (0.58) GRIK1KMT2AMEN1ALDH1A1GAA
SCHEMBL664380 0.81 MEN1 (0.53) GRIK1KMT2AMEN1LMNAALDH1A1
SCHEMBL27942038 0.80 ALDH1A1 (0.50) GRIK1KMT2AMEN1LMNAALDH1A1
SCHEMBL6260511 0.79 GBA1 (0.62) GRIK1KMT2AMEN1ALDH1A1GAA
SCHEMBL27979790 0.79 KMT2A (0.50) GRIK1KMT2AMEN1ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4100191-A 4-(M,M'-Di-t-butyl-p-hydroxyphenyl)-butyl-2-diamides BASF AKTIENGESELLSCHAFT (DE) 1978-07-11 US claimed
US-4104287-A 4-M,M'-Di-t-butyl-p-hydroxyphenyl) butyl-2 compounds BASF AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4100191-A 4-(M,M'-Di-t-butyl-p-hydroxyphenyl)-butyl-2-diamides BASF AKTIENGESELLSCHAFT (DE) 1978-07-11 US disclosed
US-4026952-A 4-(M,M'-DI-T-BUTYL-P-HYDROXYPHENYL) BUTYL-2 COMPOUNDS BASF AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed