SCHEMBL8198409

SCHEMBL8198409

CCCC(=O)c1cc2cc3ccoc3cc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CYP2C19 P33261 3/20 0.62
TSHR P16473 1/20 0.61
MAOB P27338 7/20 0.49
MAOA P21397 6/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
ACHE P22303 1/20 0.47
MIF P14174 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL498755 0.81 MIF (0.67) TSHRMAOBMAOAKDM4EHSD17B10
SCHEMBL2385579 0.80 GPR35 (0.59) CYP2C19TSHRMAOBMAOAHTT
SCHEMBL12611203 0.80 LMNA (0.70) LMNACYP2C19TSHRMAOBMAOA
SCHEMBL5905805 0.80 MAOB (0.73) LMNACYP2C19TSHRMAOBMAOA
SCHEMBL13561369 0.79 LMNA (1.00) LMNACYP2C19TSHRMAOBMAOA
SCHEMBL11391760 0.78 KDM4E (0.63) CYP2C19MAOBMAOAHTTKDM4E
SCHEMBL5905811 0.76 CYP2C19 (1.00) LMNACYP2C19TSHRMAOBMAOA
SCHEMBL8936325 0.76 MAOA (0.56) CYP2C19MAOBMAOAHTTKDM4E
SCHEMBL3065914 0.76 TSHR (0.71) LMNACYP2C19TSHRMAOAHTT
SCHEMBL12651748 0.75 MEN1 (0.74) LMNACYP2C19TSHRMAOBMAOA

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
WO-2000075125-A1 NONINVASIVE IMAGING OF NUCLEIC ACID VECTORS THE GENERAL HOSPITAL CORPORATION (US) 2000-12-14 WO disclosed