SCHEMBL7042387

SCHEMBL7042387

O=C(O)c1cc(I)c(OCC(=O)c2ccc3c(c2)OCCO3)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
PKM P14618 2/20 0.52
TSHR P16473 1/20 0.52
CTNNB1 P35222 4/20 0.51
ATM Q13315 2/20 0.51
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL6725821 0.95 ALDH1A1 (0.54) RAB9ANPC1PKMTSHRCTNNB1
SCHEMBL2394331 0.78 NPC1 (0.69) RAB9ANPC1PKMTSHRCTNNB1
SCHEMBL6725021 0.76 NPC1 (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL619634 0.74 MAPK1 (0.78) RAB9ANPC1PKMTSHRCTNNB1
SCHEMBL4828375 0.73 NPC1 (0.70) RAB9ANPC1PKMTSHRCTNNB1
Formaldehyde SCHEMBL27289523 0.71 MAPK1 (0.72) RAB9ANPC1PKMTSHRCTNNB1
SCHEMBL653025 0.71 PKM (0.87) PKMTSHRCTNNB1ATMALDH1A1
SCHEMBL2393677 0.71 NPC1 (0.65) RAB9ANPC1TSHRCTNNB1ATM
SCHEMBL2806009 0.70 KDM4E (0.72) RAB9ANPC1PKMTSHRCTNNB1
SCHEMBL2807412 0.70 KDM4E (0.72) RAB9ANPC1PKMTSHRCTNNB1

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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed