SCHEMBL9846331

SCHEMBL9846331

CCCCCOC(Oc1ccccn1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9846325 0.82 L3MBTL1 (0.41) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL9846388 0.79 KMT2A (0.38) LMNATSHRALDH1A1KDM4EKDM4A
SCHEMBL16056651 0.78 LMNA (0.51) LMNATSHRCYP3A4TP53MAPK1
SCHEMBL14975448 0.78 LMNA (0.51) LMNATSHRCYP3A4TP53MAPK1
SCHEMBL14974933 0.78 LMNA (0.51) LMNATSHRCYP3A4TP53MAPK1
SCHEMBL2271442 0.72 TSHR (0.46) LMNATSHRCYP3A4TP53MAPK1
SCHEMBL423447 0.71 CYP2D6 (0.50) LMNATSHRCYP3A4TP53MAPK1
Dipyridyl SCHEMBL28121939 0.71 CYP1A2 (0.56) TSHRCYP3A4TP53MAPK1ALDH1A1
Methyl Alcohol SCHEMBL28723582 0.70 TDP1 (0.79) LMNATSHRCYP3A4TP53MAPK1
SCHEMBL26670106 0.70 TSHR (0.56) LMNATSHRCYP3A4TP53MAPK1

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