SCHEMBL10698074

SCHEMBL10698074

COC(=O)CCN(CCOc1ccccc1OC)CCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
ADRB2 P07550 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL5318251 0.83 LMNA (0.65) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL8150113 0.81 HCRTR2 (0.49) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL10700520 0.79 MAPT (0.51) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30961584 0.76 ALDH1A1 (0.59) ALDH1A1HTR7
Guaiactamine SCHEMBL25797 0.76 ALDH1A1 (0.78) LMNASMN1; SMN2ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL9252419 0.75 LMNA (0.72) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL10696261 0.75 L3MBTL1 (0.53) LMNAALDH1A1NPC1HPGDHSD17B10
SCHEMBL7899947 0.74 LMNA (0.72) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL9301156 0.74 L3MBTL1 (0.65) LMNASMN1; SMN2ALDH1A1ADRB2HPGD
SCHEMBL15391794 0.74 SMN1; SMN2 (0.70) LMNAMTNR1AMTNR1BSMN1; SMN2ALDH1A1

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
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed