SCHEMBL7104337

SCHEMBL7104337

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(Br)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADORA2B P29275 4/20 0.37
PDE10A Q9Y233 1/20 0.36
DHODH Q02127 1/20 0.36
TP53 P04637 2/20 0.36
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
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL7105813 0.87 ALDH1A1 (0.43) MAPTSMN1; SMN2SIRT2SIRT1ESR1
SCHEMBL28749912 0.87 SMN1; SMN2 (0.42) SMN1; SMN2SIRT2SIRT1ESR1ESR2
SCHEMBL27600113 0.87 PSEN1 (0.47) SMN1; SMN2SIRT2SIRT1ESR1ESR2
SCHEMBL7099732 0.86 TDP1 (0.44) MAPTATMSMN1; SMN2PDE10AALDH1A1
SCHEMBL7097040 0.85 ESR1 (0.40) SMN1; SMN2SIRT2SIRT1ESR1ESR2
SCHEMBL27600105 0.84 AKR1C3 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL27600241 0.84 POLB (0.48) MAPTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL27600103 0.83 SMN1; SMN2 (0.39) MAPTSMN1; SMN2SIRT2SIRT1ESR1
SCHEMBL27599829 0.83 KMT2A (0.49) MAPTSMN1; SMN2TP53ALDH1A1POLB
SCHEMBL7098251 0.82 SMN1; SMN2 (0.39) MAPTSMN1; SMN2ESR1ESR2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
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