SCHEMBL7127950

SCHEMBL7127950

CC(=O)/C(C)=C/c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP11B2 P19099 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PFKFB3 Q16875 1/20 0.46

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
SCHEMBL1583517 1.00 MAPT (0.55) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL7957744 0.87 AKR1C3 (0.63) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL7957742 0.87 AKR1C3 (0.63) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL25420502 0.86 MAPT (0.52) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL20095536 0.86 MAPT (0.52) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL8039279 0.85 MAPT (0.59) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL13678892 0.81 MAPT (0.51) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL6855117 0.81 MAPT (0.55) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL6856019 0.81 MAPT (0.55) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL14198047 0.80 MAPT (0.58) MAPTSMN1; SMN2LMNAKDM4EMAPK1

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
JP-2003033185-A ENONE REDUCTASE DAICEL CHEM IND LTD 2003-02-04 JP disclosed