SCHEMBL7690986

SCHEMBL7690986

O=C(Nc1ccc(/C(O)=C(\O)c2ccc(NC(=O)c3ccc(N4CCOCC4)c(S(=O)(=O)N4CCOCC4)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPT P10636 4/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 2/20 0.66
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
LMNA P02545 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MAPK1 P28482 4/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 4/20 0.56
CNR1 P21554 2/20 0.55
ATM Q13315 1/20 0.53
CNR2 P34972 2/20 0.52
TP53 P04637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7668133 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7668231 0.87 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7691765 0.82 MAPK1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7698867 0.80 SMN1; SMN2 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7690567 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8023043 0.77 LMNA (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7663722 0.77 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL8019200 0.75 LMNA (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8019132 0.75 SMN1; SMN2 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7697941 0.75 NPC1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A

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
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed