SCHEMBL28029993

SCHEMBL28029993

COP(=O)(OC)OC(=Cc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.44
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GSK3B P49841 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
FBP1 P09467 2/20 0.38
GRM5 P41594 1/20 0.38
KAT6A Q92794 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 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
SCHEMBL28029991 0.93 P4HB (0.46) P4HBPDCD1CD274ALDH1A1KMT2A
SCHEMBL28029986 0.86 KMT2A (0.44) KDM4EALDH1A1PKMKMT2AATM
SCHEMBL28029984 0.86 ALDH1A1 (0.50) KDM4EALDH1A1PKMKMT2AATM
SCHEMBL28029983 0.82 MEN1 (0.44) KDM4EALDH1A1KMT2AFBP1
SCHEMBL28029985 0.82 MEN1 (0.44) KDM4EALDH1A1KMT2AFBP1
SCHEMBL28030357 0.81 MAOB (0.43) KDM4EALDH1A1PKMKMT2AGRM5
SCHEMBL28029977 0.76 CYP1B1 (0.44) KDM4EALDH1A1PKMKMT2A
SCHEMBL28029981 0.76 P4HB (0.42) P4HBGSK3BGPR139GRM5KAT6A
SCHEMBL22493010 0.74 AKR1C1 (0.46) KDM4EALDH1A1KMT2A
SCHEMBL28822075 0.73 CYP1B1 (0.42) ALDH1A1KMT2A

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
CN-104926867-A Preparation method for alkenyl phosphate compound UNIV BEIJING 2015-09-23 CN disclosed