SCHEMBL7097040

SCHEMBL7097040

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(C)c(C)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 3/20 0.37
PABPC1 P11940 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
BLM P54132 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CRBN Q96SW2 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7098251 0.91 SMN1; SMN2 (0.39) ESR1ESR2SMN1; SMN2KMT2AMEN1
SCHEMBL7099008 0.89 SMN1; SMN2 (0.40) ESR1ESR2SMN1; SMN2KMT2AMEN1
SCHEMBL27600024 0.88 SMN1; SMN2 (0.43) ESR1ESR2SMN1; SMN2KMT2AMEN1
SCHEMBL27600260 0.85 BMI1 (0.40) KMT2AMEN1POLBHPGDGAA
SCHEMBL6426223 0.85 PSEN1 (0.45) SMN1; SMN2KMT2AMEN1PSEN1PSEN2
SCHEMBL7104337 0.85 MAPT (0.42) ESR1ESR2SMN1; SMN2POLBPSEN1
SCHEMBL7105813 0.85 ALDH1A1 (0.43) ESR1ESR2SMN1; SMN2KMT2AMEN1
SCHEMBL28749912 0.85 SMN1; SMN2 (0.42) ESR1ESR2SMN1; SMN2KMT2AMEN1
SCHEMBL27600113 0.85 PSEN1 (0.47) ESR1ESR2SMN1; SMN2PSEN1PSEN2
SCHEMBL27600241 0.85 POLB (0.48) SMN1; SMN2KMT2AMEN1POLBPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed