SCHEMBL9846325

SCHEMBL9846325

CCCCOC(=O)C(=C(OC)Oc1ccccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 6/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9846331 0.82 LMNA (0.43) L3MBTL1HPGDKDM4ETSHRTDP1
SCHEMBL9846384 0.79 SMN1; SMN2 (0.38) HPGDKDM4ETSHRTDP1LMNA
SCHEMBL11860940 0.78 TSHR (0.56) L3MBTL1HPGDHSD17B10KDM4ETSHR
SCHEMBL26670106 0.78 TSHR (0.56) L3MBTL1HPGDHSD17B10KDM4ETSHR
SCHEMBL4544966 0.74 TSHR (0.51) L3MBTL1HPGDHSD17B10KDM4ETSHR
Dipyridyl SCHEMBL28121939 0.73 CYP1A2 (0.56) L3MBTL1HPGDHSD17B10TSHRTDP1
SCHEMBL16056651 0.72 LMNA (0.51) L3MBTL1HPGDHSD17B10KDM4ETSHR
SCHEMBL14974933 0.72 LMNA (0.51) L3MBTL1HPGDHSD17B10KDM4ETSHR
SCHEMBL14975448 0.72 LMNA (0.51) L3MBTL1HPGDHSD17B10KDM4ETSHR
SCHEMBL13703243 0.72 TSHR (0.49) L3MBTL1HPGDHSD17B10KDM4ETSHR

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-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP disclosed