SCHEMBL5607172

SCHEMBL5607172

COc1ccc2c(c1)CCC=C2OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.54
MAPT P10636 5/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
ELANE P08246 1/20 0.41
ATM Q13315 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MIF P14174 2/20 0.40
CYP26A1 O43174 1/20 0.40
METAP1 P53582 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL5607170 0.89 MPO (0.56) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL15874725 0.82 MPO (0.55) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5606759 0.82 MPO (0.49) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5606609 0.76 GPR84 (0.43) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL31285043 0.76 MPO (0.66) MPOMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL629499 0.75 MPO (0.57) MPOMAPTSMN1; SMN2KDM4EELANE
SCHEMBL6325529 0.74 MPO (0.59) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30940171 0.73 MPO (0.51) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19127634 0.73 MPO (0.51) MPOMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL316976 0.72 MPO (0.66) MPOMAPTKDM4EGLAELANE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005528450-A 2005-09-22 JP claimed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 EP claimed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO claimed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US claimed
EP-1754709-A1 Process for preparing vinylphosphates DSM IP Assets B.V. (NL) 2007-02-21 EP disclosed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 EP disclosed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO disclosed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US disclosed