SCHEMBL10700520

SCHEMBL10700520

COC(=O)CCN(CCOc1ccc(OC)cc1)CCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MCHR1 Q99705 4/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LTA4H P09960 2/20 0.49
DRD2 P14416 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL10696261 0.89 L3MBTL1 (0.53) MAPTLTA4HALDH1A1HTTKMT2A
SCHEMBL10698016 0.88 HRH3 (0.53) MAPTLTA4HALDH1A1HTTKMT2A
SCHEMBL11233455 0.83 MAPT (0.66) MAPTSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL23857640 0.79 MEP1B (0.58) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL10698074 0.79 LMNA (0.56) MAPTSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL14566050 0.79 MAPT (0.56) MAPTSMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL64783 0.75 KMT2A (0.65) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL9729899 0.75 MAPT (0.59) MAPTMTNR1AMTNR1BHTTKMT2A
SCHEMBL64222 0.74 KMT2A (0.54) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL64678 0.74 KMT2A (0.54) MAPTALDH1A1HTTKMT2AMEN1

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