SCHEMBL7753141

SCHEMBL7753141

O=C(c1ccc(OC(I)C(=O)OCc2ccccc2)c(I)c1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SRD5A2 P31213 1/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1I2 O75469 1/20 0.36

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
SCHEMBL7749227 0.84 ELANE (0.43) HPGDKMT2ACYP2C19NR1I2PPARG
SCHEMBL6720862 0.73 KMT2A (0.45) LMNAALDH1A1MAPTRAB9AHPGD
SCHEMBL6725779 0.73 KMT2A (0.64) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL6723591 0.71 THRA (0.46) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL977546 0.69 FFAR1 (0.59) LMNAFFAR1ALDH1A1MAPTRAB9A
SCHEMBL6721207 0.68 GABRA1 (0.59) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL976893 0.67 FFAR1 (0.63) FFAR1HPGDKMT2AMEN1
SCHEMBL18646100 0.65 ALDH1A1 (0.55) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL6723918 0.65 ALDH1A1 (0.47) LMNAALDH1A1SRD5A2KMT2ASLC6A2
SCHEMBL10493728 0.65 ALDH1A1 (0.60) LMNAALDH1A1MAPTRAB9ANPC1

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-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed